Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520618016542/ps5074sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb12sup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb16sup3.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb21sup4.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb41sup5.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb324sup6.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPbOXO1sup7.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPbOXO2sup8.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPbOXO3sup9.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPbOXO4sup10.hkl |
CCDC references: 1880047; 1880048; 1880049; 1880050; 1880051; 1880052; 1880053; 1880054; 1880055
Program(s) used to refine structure: SHELXL2014/7 (Sheldrick, 2014) for CuPb12, CuPb16, CuPb21, CuPb41, CuPb324, CuPbOXO2, CuPbOXO3; SHELXL2018/3 (Sheldrick, 2018) for CuPbOXO1, CuPbOXO4.
Br2CuO6Pb2Se2 | F(000) = 1516 |
Mr = 891.66 | Dx = 6.280 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 6.9097 (3) Å | Cell parameters from 2391 reflections |
b = 5.5036 (2) Å | θ = 3.0–41.7° |
c = 24.8544 (9) Å | µ = 54.03 mm−1 |
β = 93.808 (1)° | T = 296 K |
V = 943.08 (6) Å3 | Prism |
Z = 4 |
Bruker Apex 2 Duo diffractometer | θmax = 41.7°, θmin = 3.0° |
21967 measured reflections | h = −12→12 |
6387 independent reflections | k = −10→10 |
3650 reflections with I > 2σ(I) | l = −46→46 |
Rint = 0.078 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0156P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.044 | (Δ/σ)max < 0.001 |
wR(F2) = 0.068 | Δρmax = 2.53 e Å−3 |
S = 0.92 | Δρmin = −2.44 e Å−3 |
6387 reflections | Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
121 parameters | Extinction coefficient: 0.00059 (4) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Pb1 | 0.74121 (3) | 0.12334 (5) | 0.10836 (2) | 0.01580 (5) | |
Pb2 | 0.96012 (3) | −0.39395 (5) | 0.22530 (2) | 0.01641 (6) | |
Se1 | 1.23387 (8) | 0.12185 (12) | 0.03922 (2) | 0.01073 (10) | |
Se2 | 0.49394 (8) | −0.41552 (12) | 0.17155 (2) | 0.01066 (11) | |
Br1 | 1.13948 (9) | 0.10397 (13) | 0.19842 (2) | 0.01800 (12) | |
Br2 | 1.00220 (9) | −0.38436 (14) | 0.10003 (2) | 0.01887 (13) | |
Cu1 | 1.38714 (11) | −0.33887 (14) | 0.04478 (3) | 0.01280 (14) | |
O1 | 1.2305 (6) | −0.1103 (8) | −0.00663 (15) | 0.0136 (8) | |
O2 | 0.6469 (6) | −0.6344 (9) | 0.19945 (15) | 0.0157 (9) | |
O3 | 0.5266 (6) | −0.4927 (9) | 0.10631 (15) | 0.0143 (9) | |
O4 | 1.4167 (6) | −0.0168 (8) | 0.07953 (15) | 0.0133 (8) | |
O5 | 1.3491 (6) | 0.3472 (8) | 0.00815 (16) | 0.0141 (8) | |
O6 | 0.6401 (6) | −0.1725 (9) | 0.18503 (16) | 0.0158 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.01618 (9) | 0.01758 (13) | 0.01357 (8) | −0.00023 (10) | 0.00039 (7) | −0.00100 (9) |
Pb2 | 0.01519 (9) | 0.01588 (13) | 0.01808 (9) | 0.00050 (10) | 0.00042 (7) | −0.00345 (10) |
Se1 | 0.0109 (2) | 0.0103 (3) | 0.01113 (19) | 0.0003 (2) | 0.00155 (16) | −0.0013 (2) |
Se2 | 0.0105 (2) | 0.0113 (3) | 0.0102 (2) | 0.0002 (2) | 0.00083 (16) | −0.0002 (2) |
Br1 | 0.0200 (3) | 0.0147 (3) | 0.0191 (3) | 0.0001 (3) | −0.0006 (2) | −0.0004 (3) |
Br2 | 0.0191 (3) | 0.0201 (3) | 0.0179 (2) | −0.0016 (3) | 0.00432 (19) | −0.0004 (3) |
Cu1 | 0.0181 (3) | 0.0097 (4) | 0.0103 (3) | 0.0007 (3) | −0.0017 (2) | −0.0007 (3) |
O1 | 0.0173 (18) | 0.013 (2) | 0.0098 (15) | 0.0014 (18) | −0.0009 (13) | −0.0024 (17) |
O2 | 0.0170 (18) | 0.016 (2) | 0.0143 (17) | 0.0012 (19) | −0.0017 (14) | 0.0042 (18) |
O3 | 0.021 (2) | 0.015 (2) | 0.0074 (15) | 0.0048 (18) | 0.0018 (14) | −0.0007 (16) |
O4 | 0.020 (2) | 0.011 (2) | 0.0089 (16) | −0.0003 (17) | −0.0037 (14) | −0.0001 (15) |
O5 | 0.0185 (19) | 0.010 (2) | 0.0137 (17) | −0.0017 (17) | −0.0006 (14) | −0.0009 (16) |
O6 | 0.0185 (19) | 0.013 (2) | 0.0154 (18) | 0.0009 (18) | −0.0016 (15) | −0.0037 (16) |
Pb1—O4i | 2.433 (4) | Se2—O6 | 1.696 (5) |
Pb1—O1ii | 2.550 (4) | Se2—O3 | 1.706 (4) |
Pb1—O3iii | 2.580 (4) | Se2—O2 | 1.718 (4) |
Pb1—O6 | 2.636 (5) | Se2—Br1v | 3.4207 (8) |
Pb1—O2iii | 2.743 (4) | Se2—Pb1vi | 3.4904 (7) |
Pb1—Br2iii | 3.2689 (8) | Br1—Pb2iii | 3.1189 (8) |
Pb1—Br2 | 3.3395 (8) | Br1—Pb2viii | 3.2484 (6) |
Pb1—Br1 | 3.4318 (6) | Br1—Se2iv | 3.4208 (8) |
Pb1—Se2iii | 3.4904 (7) | Br1—Br2 | 3.7141 (9) |
Pb1—Pb2iii | 4.1484 (4) | Br1—Br2iii | 3.8080 (10) |
Pb1—Pb2 | 4.2728 (4) | Br1—Br1viii | 3.9948 (8) |
Pb1—Pb2iv | 4.4499 (3) | Br1—Br1vii | 3.9948 (8) |
Pb2—O2iv | 2.504 (4) | Br2—Cu1 | 3.0835 (10) |
Pb2—O2 | 2.581 (4) | Br2—Pb1vi | 3.2689 (8) |
Pb2—O6 | 2.661 (4) | Br2—Se1vi | 3.5432 (9) |
Pb2—O6v | 2.829 (4) | Br2—Br1vi | 3.8081 (10) |
Pb2—Br1 | 3.0986 (8) | Cu1—O3ix | 1.946 (4) |
Pb2—Br1vi | 3.1189 (8) | Cu1—O5vi | 1.963 (4) |
Pb2—Br2 | 3.1466 (6) | Cu1—O4 | 1.976 (4) |
Pb2—Br1vii | 3.2483 (6) | Cu1—O1 | 2.050 (4) |
Pb2—Se2 | 3.4064 (6) | Cu1—O5x | 2.318 (4) |
Pb2—Pb1vi | 4.1484 (4) | O1—Pb1ii | 2.550 (4) |
Pb2—Pb2v | 4.2409 (4) | O2—Pb2v | 2.504 (4) |
Pb2—Pb2iv | 4.2410 (4) | O2—Pb1vi | 2.743 (4) |
Se1—O5 | 1.688 (4) | O3—Cu1i | 1.946 (4) |
Se1—O1 | 1.711 (4) | O3—Pb1vi | 2.580 (4) |
Se1—O4 | 1.736 (4) | O4—Pb1ix | 2.433 (4) |
Se1—Cu1 | 2.7478 (10) | O5—Cu1iii | 1.963 (4) |
Se1—Br2iii | 3.5432 (9) | O5—Cu1x | 2.318 (4) |
Se1—Br2 | 3.5959 (9) | O6—Pb2iv | 2.829 (4) |
O4i—Pb1—O1ii | 80.15 (13) | O1—Se1—Cu1 | 48.14 (13) |
O4i—Pb1—O3iii | 74.73 (15) | O4—Se1—Cu1 | 45.75 (14) |
O1ii—Pb1—O3iii | 94.89 (13) | O5—Se1—Br2iii | 82.64 (15) |
O4i—Pb1—O6 | 74.57 (13) | O1—Se1—Br2iii | 150.48 (13) |
O1ii—Pb1—O6 | 137.82 (14) | O4—Se1—Br2iii | 115.02 (14) |
O3iii—Pb1—O6 | 109.92 (14) | Cu1—Se1—Br2iii | 150.44 (3) |
O4i—Pb1—O2iii | 97.61 (13) | O5—Se1—Br2 | 176.46 (15) |
O1ii—Pb1—O2iii | 150.48 (14) | O1—Se1—Br2 | 73.42 (15) |
O3iii—Pb1—O2iii | 56.67 (12) | O4—Se1—Br2 | 75.18 (15) |
O6—Pb1—O2iii | 67.33 (14) | Cu1—Se1—Br2 | 56.27 (2) |
O4i—Pb1—Br2iii | 138.20 (10) | Br2iii—Se1—Br2 | 100.87 (2) |
O1ii—Pb1—Br2iii | 83.20 (10) | O6—Se2—O3 | 105.6 (2) |
O3iii—Pb1—Br2iii | 68.82 (11) | O6—Se2—O2 | 97.5 (2) |
O6—Pb1—Br2iii | 137.02 (9) | O3—Se2—O2 | 95.3 (2) |
O2iii—Pb1—Br2iii | 79.14 (10) | O6—Se2—Pb2 | 50.19 (15) |
O4i—Pb1—Br2 | 101.97 (11) | O3—Se2—Pb2 | 101.54 (15) |
O1ii—Pb1—Br2 | 80.66 (10) | O2—Se2—Pb2 | 47.60 (15) |
O3iii—Pb1—Br2 | 174.93 (8) | O6—Se2—Br1v | 89.02 (14) |
O6—Pb1—Br2 | 72.42 (10) | O3—Se2—Br1v | 165.22 (16) |
O2iii—Pb1—Br2 | 128.07 (9) | O2—Se2—Br1v | 80.66 (14) |
Br2iii—Pb1—Br2 | 112.776 (19) | Pb2—Se2—Br1v | 86.302 (16) |
O4i—Pb1—Br1 | 149.94 (10) | O6—Se2—Pb1vi | 111.06 (15) |
O1ii—Pb1—Br1 | 122.34 (9) | O3—Se2—Pb1vi | 44.88 (15) |
O3iii—Pb1—Br1 | 118.25 (9) | O2—Se2—Pb1vi | 50.61 (14) |
O6—Pb1—Br1 | 75.45 (9) | Pb2—Se2—Pb1vi | 73.944 (13) |
O2iii—Pb1—Br1 | 72.59 (8) | Br1v—Se2—Pb1vi | 128.21 (2) |
Br2iii—Pb1—Br1 | 69.216 (17) | Pb2—Br1—Pb2iii | 124.55 (2) |
Br2—Pb1—Br1 | 66.513 (16) | Pb2—Br1—Pb2viii | 102.393 (19) |
O4i—Pb1—Se2iii | 83.91 (10) | Pb2iii—Br1—Pb2viii | 101.946 (19) |
O1ii—Pb1—Se2iii | 122.60 (10) | Pb2—Br1—Se2iv | 68.399 (17) |
O3iii—Pb1—Se2iii | 27.81 (8) | Pb2iii—Br1—Se2iv | 71.917 (18) |
O6—Pb1—Se2iii | 87.86 (10) | Pb2viii—Br1—Se2iv | 73.812 (15) |
O2iii—Pb1—Se2iii | 28.96 (8) | Pb2—Br1—Pb1 | 81.561 (16) |
Br2iii—Pb1—Se2iii | 73.406 (16) | Pb2iii—Br1—Pb1 | 78.424 (15) |
Br2—Pb1—Se2iii | 156.743 (15) | Pb2viii—Br1—Pb1 | 174.61 (2) |
Br1—Pb1—Se2iii | 97.145 (15) | Se2iv—Br1—Pb1 | 111.25 (2) |
O4i—Pb1—Pb2iii | 134.04 (10) | Pb2—Br1—Br2 | 54.105 (16) |
O1ii—Pb1—Pb2iii | 131.63 (10) | Pb2iii—Br1—Br2 | 133.98 (2) |
O3iii—Pb1—Pb2iii | 70.83 (9) | Pb2viii—Br1—Br2 | 123.86 (2) |
O6—Pb1—Pb2iii | 89.48 (9) | Se2iv—Br1—Br2 | 121.75 (2) |
O2iii—Pb1—Pb2iii | 37.44 (9) | Pb1—Br1—Br2 | 55.553 (14) |
Br2iii—Pb1—Pb2iii | 48.433 (11) | Pb2—Br1—Br2iii | 134.93 (2) |
Br2—Pb1—Pb2iii | 113.951 (12) | Pb2iii—Br1—Br2iii | 52.899 (15) |
Br1—Pb1—Pb2iii | 47.438 (13) | Pb2viii—Br1—Br2iii | 122.57 (2) |
Se2iii—Pb1—Pb2iii | 52.101 (10) | Se2iv—Br1—Br2iii | 123.96 (2) |
O4i—Pb1—Pb2 | 105.47 (10) | Pb1—Br1—Br2iii | 53.374 (14) |
O1ii—Pb1—Pb2 | 127.50 (10) | Br2—Br1—Br2iii | 94.042 (18) |
O3iii—Pb1—Pb2 | 137.41 (8) | Pb2—Br1—Br1viii | 127.75 (2) |
O6—Pb1—Pb2 | 36.43 (9) | Pb2iii—Br1—Br1viii | 52.604 (8) |
O2iii—Pb1—Pb2 | 81.67 (9) | Pb2viii—Br1—Br1viii | 49.343 (18) |
Br2iii—Pb1—Pb2 | 115.051 (12) | Se2iv—Br1—Br1viii | 62.02 (2) |
Br2—Pb1—Pb2 | 46.875 (11) | Pb1—Br1—Br1viii | 130.775 (19) |
Br1—Pb1—Pb2 | 45.835 (13) | Br2—Br1—Br1viii | 172.33 (3) |
Se2iii—Pb1—Pb2 | 109.886 (11) | Br2iii—Br1—Br1viii | 88.340 (14) |
Pb2iii—Pb1—Pb2 | 81.603 (6) | Pb2—Br1—Br1vii | 52.683 (8) |
O4i—Pb1—Pb2iv | 85.87 (9) | Pb2iii—Br1—Br1vii | 127.83 (2) |
O1ii—Pb1—Pb2iv | 165.93 (9) | Pb2viii—Br1—Br1vii | 49.710 (18) |
O3iii—Pb1—Pb2iv | 79.70 (9) | Se2iv—Br1—Br1vii | 59.18 (2) |
O6—Pb1—Pb2iv | 36.95 (10) | Pb1—Br1—Br1vii | 134.10 (2) |
O2iii—Pb1—Pb2iv | 30.40 (10) | Br2—Br1—Br1vii | 89.664 (14) |
Br2iii—Pb1—Pb2iv | 106.519 (12) | Br2iii—Br1—Br1vii | 171.82 (3) |
Br2—Pb1—Pb2iv | 104.069 (12) | Br1viii—Br1—Br1vii | 87.08 (2) |
Br1—Pb1—Pb2iv | 71.333 (12) | Cu1—Br2—Pb2 | 125.53 (2) |
Se2iii—Pb1—Pb2iv | 53.482 (11) | Cu1—Br2—Pb1vi | 126.25 (3) |
Pb2iii—Pb1—Pb2iv | 58.982 (6) | Pb2—Br2—Pb1vi | 80.552 (16) |
Pb2—Pb1—Pb2iv | 58.139 (5) | Cu1—Br2—Pb1 | 116.42 (3) |
O2iv—Pb2—O2 | 101.19 (7) | Pb2—Br2—Pb1 | 82.355 (16) |
O2iv—Pb2—O6 | 74.95 (13) | Pb1vi—Br2—Pb1 | 112.775 (19) |
O2—Pb2—O6 | 58.62 (14) | Cu1—Br2—Se1vi | 56.27 (2) |
O2iv—Pb2—O6v | 67.71 (14) | Pb2—Br2—Se1vi | 118.90 (2) |
O2—Pb2—O6v | 70.92 (12) | Pb1vi—Br2—Se1vi | 70.006 (18) |
O6—Pb2—O6v | 107.68 (8) | Pb1—Br2—Se1vi | 158.33 (2) |
O2iv—Pb2—Br1 | 78.39 (11) | Cu1—Br2—Se1 | 47.83 (2) |
O2—Pb2—Br1 | 137.77 (9) | Pb2—Br2—Se1 | 120.12 (2) |
O6—Pb2—Br1 | 81.26 (10) | Pb1vi—Br2—Se1 | 158.69 (2) |
O6v—Pb2—Br1 | 140.49 (9) | Pb1—Br2—Se1 | 68.597 (18) |
O2iv—Pb2—Br1vi | 143.78 (10) | Se1vi—Br2—Se1 | 100.87 (2) |
O2—Pb2—Br1vi | 80.27 (10) | Cu1—Br2—Br1 | 92.54 (2) |
O6—Pb2—Br1vi | 131.09 (9) | Pb2—Br2—Br1 | 52.915 (15) |
O6v—Pb2—Br1vi | 79.06 (10) | Pb1vi—Br2—Br1 | 132.53 (2) |
Br1—Pb2—Br1vi | 124.55 (2) | Pb1—Br2—Br1 | 57.934 (16) |
O2iv—Pb2—Br2 | 141.33 (10) | Se1vi—Br2—Br1 | 137.14 (2) |
O2—Pb2—Br2 | 83.88 (9) | Se1—Br2—Br1 | 67.342 (18) |
O6—Pb2—Br2 | 75.48 (9) | Cu1—Br2—Br1vi | 99.24 (2) |
O6v—Pb2—Br2 | 146.33 (9) | Pb2—Br2—Br1vi | 52.240 (15) |
Br1—Pb2—Br2 | 72.980 (18) | Pb1vi—Br2—Br1vi | 57.409 (16) |
Br1vi—Pb2—Br2 | 74.859 (18) | Pb1—Br2—Br1vi | 133.75 (2) |
O2iv—Pb2—Br1vii | 81.29 (9) | Se1vi—Br2—Br1vi | 66.826 (19) |
O2—Pb2—Br1vii | 144.19 (9) | Se1—Br2—Br1vi | 138.08 (2) |
O6—Pb2—Br1vii | 151.08 (10) | Br1—Br2—Br1vi | 94.041 (18) |
O6v—Pb2—Br1vii | 77.40 (8) | O3ix—Cu1—O5vi | 91.46 (18) |
Br1—Pb2—Br1vii | 77.973 (16) | O3ix—Cu1—O4 | 90.89 (18) |
Br1vi—Pb2—Br1vii | 77.686 (15) | O5vi—Cu1—O4 | 177.55 (17) |
Br2—Pb2—Br1vii | 116.515 (17) | O3ix—Cu1—O1 | 165.93 (18) |
O2iv—Pb2—Se2 | 89.67 (9) | O5vi—Cu1—O1 | 101.66 (17) |
O2—Pb2—Se2 | 29.44 (10) | O4—Cu1—O1 | 75.94 (16) |
O6—Pb2—Se2 | 29.31 (10) | O3ix—Cu1—O5x | 94.04 (16) |
O6v—Pb2—Se2 | 90.89 (8) | O5vi—Cu1—O5x | 78.77 (18) |
Br1—Pb2—Se2 | 109.123 (17) | O4—Cu1—O5x | 101.73 (17) |
Br1vi—Pb2—Se2 | 105.304 (17) | O1—Cu1—O5x | 93.49 (16) |
Br2—Pb2—Se2 | 76.091 (15) | O3ix—Cu1—Se1 | 127.60 (13) |
Br1vii—Pb2—Se2 | 167.250 (17) | O5vi—Cu1—Se1 | 138.57 (12) |
O2iv—Pb2—Pb1vi | 140.95 (9) | O4—Cu1—Se1 | 38.99 (11) |
O2—Pb2—Pb1vi | 40.24 (10) | O1—Cu1—Se1 | 38.44 (12) |
O6—Pb2—Pb1vi | 76.97 (9) | O5x—Cu1—Se1 | 107.74 (12) |
O6v—Pb2—Pb1vi | 96.20 (9) | O3ix—Cu1—Br2 | 90.66 (13) |
Br1—Pb2—Pb1vi | 123.212 (13) | O5vi—Cu1—Br2 | 92.42 (13) |
Br1vi—Pb2—Pb1vi | 54.137 (12) | O4—Cu1—Br2 | 86.87 (13) |
Br2—Pb2—Pb1vi | 51.013 (14) | O1—Cu1—Br2 | 83.80 (12) |
Br1vii—Pb2—Pb1vi | 131.561 (15) | O5x—Cu1—Br2 | 170.11 (10) |
Se2—Pb2—Pb1vi | 53.954 (11) | Se1—Cu1—Br2 | 75.90 (3) |
O2iv—Pb2—Pb2v | 84.95 (10) | Se1—O1—Cu1 | 93.42 (16) |
O2—Pb2—Pb2v | 32.92 (9) | Se1—O1—Pb1ii | 133.1 (2) |
O6—Pb2—Pb2v | 80.70 (10) | Cu1—O1—Pb1ii | 121.92 (19) |
O6v—Pb2—Pb2v | 38.01 (8) | Se2—O2—Pb2v | 119.8 (2) |
Br1—Pb2—Pb2v | 158.063 (14) | Se2—O2—Pb2 | 103.0 (2) |
Br1vi—Pb2—Pb2v | 77.089 (13) | Pb2v—O2—Pb2 | 113.01 (13) |
Br2—Pb2—Pb2v | 114.041 (14) | Se2—O2—Pb1vi | 100.43 (16) |
Br1vii—Pb2—Pb2v | 113.687 (14) | Pb2v—O2—Pb1vi | 115.94 (18) |
Se2—Pb2—Pb2v | 56.159 (12) | Pb2—O2—Pb1vi | 102.32 (14) |
Pb1vi—Pb2—Pb2v | 64.056 (5) | Se2—O3—Cu1i | 123.3 (2) |
O2iv—Pb2—Pb2iv | 34.07 (9) | Se2—O3—Pb1vi | 107.31 (18) |
O2—Pb2—Pb2iv | 79.97 (10) | Cu1i—O3—Pb1vi | 128.74 (19) |
O6—Pb2—Pb2iv | 40.88 (9) | Se1—O4—Cu1 | 95.27 (17) |
O6v—Pb2—Pb2iv | 85.14 (10) | Se1—O4—Pb1ix | 130.7 (2) |
Br1—Pb2—Pb2iv | 77.286 (13) | Cu1—O4—Pb1ix | 118.6 (2) |
Br1vi—Pb2—Pb2iv | 157.868 (15) | Se1—O5—Cu1iii | 119.2 (2) |
Br2—Pb2—Pb2iv | 112.684 (15) | Se1—O5—Cu1x | 131.1 (2) |
Br1vii—Pb2—Pb2iv | 113.974 (14) | Cu1iii—O5—Cu1x | 101.23 (18) |
Se2—Pb2—Pb2iv | 59.227 (12) | Se2—O6—Pb1 | 121.82 (19) |
Pb1vi—Pb2—Pb2iv | 113.176 (8) | Se2—O6—Pb2 | 100.5 (2) |
Pb2v—Pb2—Pb2iv | 80.912 (9) | Pb1—O6—Pb2 | 107.54 (15) |
O5—Se1—O1 | 103.3 (2) | Se2—O6—Pb2iv | 114.2 (2) |
O5—Se1—O4 | 103.9 (2) | Pb1—O6—Pb2iv | 108.99 (16) |
O1—Se1—O4 | 91.92 (19) | Pb2—O6—Pb2iv | 101.11 (12) |
O5—Se1—Cu1 | 120.60 (15) |
Symmetry codes: (i) x−1, y, z; (ii) −x+2, −y, −z; (iii) x, y+1, z; (iv) −x+3/2, y+1/2, −z+1/2; (v) −x+3/2, y−1/2, −z+1/2; (vi) x, y−1, z; (vii) −x+5/2, y−1/2, −z+1/2; (viii) −x+5/2, y+1/2, −z+1/2; (ix) x+1, y, z; (x) −x+3, −y, −z. |
Br6CuO12Pb6Se4 | F(000) = 3852 |
Mr = 2293.98 | Dx = 6.396 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 11.154 (6) Å | Cell parameters from 2142 reflections |
b = 12.950 (7) Å | θ = 2.0–28.0° |
c = 19.834 (9) Å | µ = 59.34 mm−1 |
β = 123.74 (2)° | T = 293 K |
V = 2382 (2) Å3 | Prism |
Z = 4 |
Bruker Apex 2 Duo diffractometer | θmax = 28.0°, θmin = 2.0° |
11595 measured reflections | h = −9→14 |
4940 independent reflections | k = −17→16 |
2639 reflections with I > 2σ(I) | l = −26→26 |
Rint = 0.062 |
Refinement on F2 | 6 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2)] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.036 | (Δ/σ)max < 0.001 |
wR(F2) = 0.069 | Δρmax = 2.03 e Å−3 |
S = 0.58 | Δρmin = −1.77 e Å−3 |
4940 reflections | Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
263 parameters | Extinction coefficient: 0.000021 (3) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Pb1 | −0.04434 (7) | −0.36503 (5) | −0.42525 (4) | 0.02016 (16) | |
Pb2 | 0.21887 (6) | −0.11687 (5) | −0.42564 (4) | 0.01737 (15) | |
Pb3 | 0.35942 (6) | −0.62173 (5) | −0.26692 (4) | 0.01977 (16) | |
Pb4 | −0.14366 (6) | −0.64405 (5) | −0.26658 (4) | 0.01882 (15) | |
Pb5 | −0.54697 (7) | −0.35426 (5) | −0.43195 (4) | 0.01884 (16) | |
Pb6 | −0.13196 (6) | −0.35873 (5) | −0.24282 (4) | 0.01725 (15) | |
Br1 | −0.29228 (17) | −0.49210 (13) | −0.41967 (11) | 0.0209 (4) | |
Br2 | −0.03693 (17) | −0.00602 (12) | −0.41148 (11) | 0.0180 (4) | |
Br3 | 0.47060 (18) | 0.01459 (13) | −0.40382 (11) | 0.0235 (4) | |
Br4 | 0.10569 (17) | −0.50702 (14) | −0.26692 (11) | 0.0260 (4) | |
Br5 | 0.20031 (17) | −0.47682 (13) | −0.42914 (11) | 0.0223 (4) | |
Br6 | 0.38236 (16) | 0.00957 (13) | −0.23991 (11) | 0.0230 (4) | |
Se1 | 0.25594 (15) | −0.16806 (12) | −0.59581 (10) | 0.0136 (4) | |
Se2 | −0.15844 (15) | −0.18278 (12) | −0.57187 (10) | 0.0134 (3) | |
Se3 | 0.36883 (15) | −0.30926 (11) | −0.27552 (10) | 0.0129 (3) | |
Se4 | −0.27165 (15) | −0.17282 (11) | −0.38816 (9) | 0.0124 (3) | |
Cu1 | 0.55014 (19) | −0.26365 (14) | −0.08211 (12) | 0.0131 (4) | |
O1 | 0.0076 (10) | −0.2284 (7) | −0.4983 (7) | 0.020 (3) | |
O2 | 0.4038 (11) | −0.2513 (7) | −0.3407 (6) | 0.015 (3) | |
O3 | −0.1136 (10) | −0.2390 (8) | −0.3473 (6) | 0.016 (3) | |
O4 | 0.0964 (10) | −0.2254 (8) | −0.6656 (7) | 0.020 (3) | |
O5 | 0.2874 (11) | −0.2153 (7) | −0.5068 (7) | 0.017 (3) | |
O6 | −0.3193 (10) | −0.2250 (8) | −0.3256 (6) | 0.015 (2) | |
O7 | 0.2069 (10) | −0.2513 (8) | −0.3103 (7) | 0.019 (3) | |
O8 | 0.4915 (10) | −0.2388 (8) | −0.1930 (6) | 0.018 (3) | |
O9 | −0.1886 (11) | −0.2378 (8) | −0.6578 (7) | 0.022 (3) | |
O10 | −0.2523 (10) | −0.2620 (8) | −0.5467 (7) | 0.021 (3) | |
O11 | −0.3945 (10) | −0.2415 (8) | −0.4710 (6) | 0.019 (3) | |
O12 | 0.3531 (10) | −0.2536 (8) | −0.6164 (7) | 0.024 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.0226 (3) | 0.0236 (3) | 0.0181 (3) | 0.0026 (3) | 0.0137 (3) | 0.0027 (3) |
Pb2 | 0.0172 (3) | 0.0198 (3) | 0.0159 (3) | 0.0001 (2) | 0.0097 (3) | −0.0005 (3) |
Pb3 | 0.0206 (3) | 0.0223 (3) | 0.0203 (4) | −0.0023 (3) | 0.0138 (3) | 0.0009 (3) |
Pb4 | 0.0233 (3) | 0.0193 (3) | 0.0184 (3) | −0.0009 (3) | 0.0143 (3) | −0.0013 (3) |
Pb5 | 0.0209 (3) | 0.0217 (3) | 0.0178 (4) | 0.0021 (3) | 0.0132 (3) | −0.0005 (3) |
Pb6 | 0.0166 (3) | 0.0195 (3) | 0.0168 (3) | −0.0007 (2) | 0.0100 (3) | 0.0002 (3) |
Br1 | 0.0219 (8) | 0.0248 (8) | 0.0183 (9) | −0.0006 (7) | 0.0126 (7) | −0.0019 (8) |
Br2 | 0.0204 (7) | 0.0204 (8) | 0.0168 (8) | −0.0001 (7) | 0.0125 (6) | −0.0007 (7) |
Br3 | 0.0232 (9) | 0.0239 (9) | 0.0286 (11) | −0.0024 (7) | 0.0176 (8) | 0.0017 (8) |
Br4 | 0.0226 (9) | 0.0361 (10) | 0.0235 (10) | 0.0070 (8) | 0.0154 (8) | 0.0091 (9) |
Br5 | 0.0201 (8) | 0.0291 (9) | 0.0221 (9) | −0.0025 (7) | 0.0145 (7) | −0.0064 (8) |
Br6 | 0.0222 (9) | 0.0269 (9) | 0.0261 (10) | 0.0020 (7) | 0.0173 (8) | −0.0024 (8) |
Se1 | 0.0135 (7) | 0.0175 (8) | 0.0118 (8) | −0.0005 (6) | 0.0082 (6) | −0.0021 (6) |
Se2 | 0.0141 (7) | 0.0163 (8) | 0.0121 (8) | −0.0013 (6) | 0.0087 (6) | −0.0004 (6) |
Se3 | 0.0133 (7) | 0.0164 (8) | 0.0113 (8) | 0.0010 (6) | 0.0082 (6) | 0.0018 (6) |
Se4 | 0.0128 (7) | 0.0162 (8) | 0.0104 (8) | −0.0003 (6) | 0.0080 (6) | 0.0015 (6) |
Cu1 | 0.0127 (8) | 0.0212 (10) | 0.0090 (9) | 0.0009 (8) | 0.0082 (7) | 0.0007 (8) |
O1 | 0.012 (5) | 0.013 (5) | 0.025 (7) | −0.006 (4) | 0.004 (5) | 0.002 (5) |
O2 | 0.026 (6) | 0.014 (5) | 0.009 (6) | 0.009 (5) | 0.012 (5) | 0.003 (5) |
O3 | 0.019 (6) | 0.019 (6) | 0.014 (6) | 0.002 (4) | 0.011 (5) | −0.007 (5) |
O4 | 0.012 (5) | 0.031 (6) | 0.022 (6) | −0.003 (5) | 0.012 (5) | −0.002 (6) |
O5 | 0.027 (6) | 0.009 (5) | 0.018 (6) | 0.004 (4) | 0.016 (5) | 0.009 (5) |
O6 | 0.027 (6) | 0.013 (6) | 0.011 (6) | 0.002 (4) | 0.016 (5) | −0.001 (4) |
O7 | 0.018 (5) | 0.026 (6) | 0.025 (7) | 0.001 (5) | 0.019 (5) | 0.001 (5) |
O8 | 0.018 (5) | 0.027 (6) | 0.007 (5) | −0.008 (5) | 0.005 (4) | −0.009 (5) |
O9 | 0.034 (6) | 0.022 (6) | 0.020 (7) | −0.002 (5) | 0.021 (5) | 0.003 (5) |
O10 | 0.021 (6) | 0.025 (6) | 0.024 (7) | 0.005 (5) | 0.017 (5) | 0.004 (5) |
O11 | 0.017 (5) | 0.029 (5) | 0.005 (5) | 0.006 (4) | 0.004 (4) | 0.005 (4) |
O12 | 0.010 (5) | 0.025 (6) | 0.026 (7) | 0.000 (4) | 0.003 (5) | −0.014 (6) |
Pb1—O1 | 2.548 (12) | Br5—Pb1i | 3.159 (2) |
Pb1—O10 | 2.599 (10) | Br6—Pb6viii | 3.125 (2) |
Pb1—O3 | 2.642 (11) | Se1—O4 | 1.702 (10) |
Pb1—Br5 | 3.128 (2) | Se1—O5 | 1.710 (12) |
Pb1—Br5i | 3.159 (2) | Se1—O12 | 1.749 (12) |
Pb1—Br4 | 3.195 (2) | Se2—O9 | 1.700 (13) |
Pb2—O1 | 2.438 (9) | Se2—O1 | 1.705 (9) |
Pb2—O5 | 2.484 (12) | Se2—O10 | 1.725 (13) |
Pb2—O2 | 2.503 (9) | Se3—O8 | 1.702 (9) |
Pb2—Br3 | 3.101 (2) | Se3—O7 | 1.708 (10) |
Pb2—Br2ii | 3.131 (2) | Se3—O2 | 1.717 (12) |
Pb3—O9i | 2.451 (11) | Se4—O11 | 1.694 (10) |
Pb3—O6iii | 2.503 (12) | Se4—O3 | 1.706 (10) |
Pb3—O8iv | 2.676 (12) | Se4—O6 | 1.735 (12) |
Pb3—Br4 | 3.196 (2) | Cu1—O12vii | 1.919 (11) |
Pb4—O4i | 2.395 (12) | Cu1—O11x | 1.931 (12) |
Pb4—O7iii | 2.438 (12) | Cu1—O10x | 1.935 (11) |
Pb4—O12i | 2.564 (9) | Cu1—O8 | 1.942 (12) |
Pb4—Br1 | 3.201 (2) | Cu1—Br3iv | 2.882 (3) |
Pb5—O5v | 2.410 (9) | O2—Pb5xi | 2.541 (12) |
Pb5—O2v | 2.541 (12) | O4—Pb6xii | 2.385 (10) |
Pb5—O11 | 2.662 (12) | O4—Pb4i | 2.395 (12) |
Pb5—Br1vi | 3.158 (2) | O5—Pb5xi | 2.410 (9) |
Pb6—O4vii | 2.385 (10) | O6—Pb3viii | 2.503 (12) |
Pb6—O9vii | 2.446 (13) | O7—Pb4viii | 2.438 (12) |
Pb6—O6 | 2.500 (10) | O8—Pb3ix | 2.676 (12) |
Pb6—O3 | 2.685 (12) | O9—Pb6xii | 2.446 (13) |
Pb6—Br6iii | 3.125 (2) | O9—Pb3i | 2.451 (11) |
Pb6—Br2iii | 3.186 (2) | O10—Cu1xiii | 1.935 (11) |
Br1—Pb5vi | 3.158 (2) | O11—Cu1xiii | 1.931 (12) |
Br2—Pb2ii | 3.131 (2) | O12—Cu1xii | 1.919 (11) |
Br2—Pb6viii | 3.186 (2) | O12—Pb4i | 2.564 (9) |
Br3—Cu1ix | 2.882 (3) | ||
O1—Pb1—O10 | 59.0 (3) | Cu1ix—Br3—Pb2 | 121.04 (8) |
O1—Pb1—O3 | 97.8 (4) | Pb1—Br4—Pb3 | 104.35 (7) |
O10—Pb1—O3 | 79.9 (4) | Pb1—Br5—Pb1i | 106.12 (6) |
O1—Pb1—Br5 | 80.2 (3) | O4—Se1—O5 | 101.9 (6) |
O10—Pb1—Br5 | 123.8 (3) | O4—Se1—O12 | 92.1 (5) |
O3—Pb1—Br5 | 147.5 (2) | O5—Se1—O12 | 102.4 (6) |
O1—Pb1—Br5i | 96.6 (3) | O9—Se2—O1 | 103.2 (6) |
O10—Pb1—Br5i | 74.4 (3) | O9—Se2—O10 | 103.1 (6) |
O3—Pb1—Br5i | 138.1 (2) | O1—Se2—O10 | 95.2 (5) |
Br5—Pb1—Br5i | 73.88 (6) | O8—Se3—O7 | 104.9 (5) |
O1—Pb1—Br4 | 142.9 (2) | O8—Se3—O2 | 95.3 (5) |
O10—Pb1—Br4 | 156.5 (3) | O7—Se3—O2 | 97.8 (5) |
O3—Pb1—Br4 | 86.8 (2) | O11—Se4—O3 | 105.2 (5) |
Br5—Pb1—Br4 | 76.70 (6) | O11—Se4—O6 | 94.9 (5) |
Br5i—Pb1—Br4 | 104.32 (6) | O3—Se4—O6 | 96.4 (5) |
O1—Pb2—O5 | 81.8 (4) | O12vii—Cu1—O11x | 88.7 (5) |
O1—Pb2—O2 | 98.6 (3) | O12vii—Cu1—O10x | 163.4 (4) |
O5—Pb2—O2 | 69.1 (3) | O11x—Cu1—O10x | 90.1 (5) |
O1—Pb2—Br3 | 155.6 (3) | O12vii—Cu1—O8 | 88.9 (5) |
O5—Pb2—Br3 | 78.0 (2) | O11x—Cu1—O8 | 168.4 (4) |
O2—Pb2—Br3 | 86.8 (3) | O10x—Cu1—O8 | 88.9 (5) |
O1—Pb2—Br2ii | 80.3 (3) | O12vii—Cu1—Br3iv | 93.9 (3) |
O5—Pb2—Br2ii | 81.3 (2) | O11x—Cu1—Br3iv | 95.9 (3) |
O2—Pb2—Br2ii | 150.2 (3) | O10x—Cu1—Br3iv | 102.7 (3) |
Br3—Pb2—Br2ii | 83.27 (6) | O8—Cu1—Br3iv | 95.6 (3) |
O9i—Pb3—O6iii | 69.8 (4) | Se2—O1—Pb2 | 122.3 (5) |
O9i—Pb3—O8iv | 78.5 (4) | Se2—O1—Pb1 | 104.2 (5) |
O6iii—Pb3—O8iv | 108.0 (3) | Pb2—O1—Pb1 | 121.7 (4) |
O9i—Pb3—Br4 | 87.5 (3) | Se3—O2—Pb2 | 111.3 (5) |
O6iii—Pb3—Br4 | 74.3 (2) | Se3—O2—Pb5xi | 122.4 (5) |
O8iv—Pb3—Br4 | 163.6 (2) | Pb2—O2—Pb5xi | 108.0 (4) |
O4i—Pb4—O7iii | 100.3 (4) | Se4—O3—Pb1 | 126.4 (5) |
O4i—Pb4—O12i | 60.0 (4) | Se4—O3—Pb6 | 98.9 (5) |
O7iii—Pb4—O12i | 80.6 (4) | Pb1—O3—Pb6 | 105.5 (3) |
O4i—Pb4—Br1 | 93.5 (3) | Se1—O4—Pb6xii | 125.8 (6) |
O7iii—Pb4—Br1 | 140.0 (2) | Se1—O4—Pb4i | 107.9 (5) |
O12i—Pb4—Br1 | 74.2 (3) | Pb6xii—O4—Pb4i | 116.8 (4) |
O5v—Pb5—O2v | 69.7 (4) | Se1—O5—Pb5xi | 123.4 (6) |
O5v—Pb5—O11 | 78.8 (3) | Se1—O5—Pb2 | 121.6 (5) |
O2v—Pb5—O11 | 110.2 (3) | Pb5xi—O5—Pb2 | 113.0 (4) |
O5v—Pb5—Br1vi | 93.0 (3) | Se4—O6—Pb6 | 105.2 (5) |
O2v—Pb5—Br1vi | 139.4 (2) | Se4—O6—Pb3viii | 124.5 (5) |
O11—Pb5—Br1vi | 101.4 (2) | Pb6—O6—Pb3viii | 108.3 (4) |
O4vii—Pb6—O9vii | 85.2 (4) | Se3—O7—Pb4viii | 127.3 (6) |
O4vii—Pb6—O6 | 108.1 (3) | Se3—O8—Cu1 | 125.8 (6) |
O9vii—Pb6—O6 | 69.9 (4) | Se3—O8—Pb3ix | 108.6 (6) |
O4vii—Pb6—O3 | 73.7 (3) | Cu1—O8—Pb3ix | 123.8 (4) |
O9vii—Pb6—O3 | 113.3 (4) | Se2—O9—Pb6xii | 119.6 (5) |
O6—Pb6—O3 | 59.2 (4) | Se2—O9—Pb3i | 125.1 (6) |
O4vii—Pb6—Br6iii | 152.9 (3) | Pb6xii—O9—Pb3i | 111.8 (5) |
O9vii—Pb6—Br6iii | 78.3 (3) | Se2—O10—Cu1xiii | 123.0 (6) |
O6—Pb6—Br6iii | 86.3 (3) | Se2—O10—Pb1 | 101.6 (4) |
O3—Pb6—Br6iii | 132.6 (2) | Cu1xiii—O10—Pb1 | 132.4 (6) |
O4vii—Pb6—Br2iii | 78.8 (3) | Se4—O11—Cu1xiii | 131.5 (7) |
O9vii—Pb6—Br2iii | 83.4 (3) | Se4—O11—Pb5 | 108.0 (6) |
O6—Pb6—Br2iii | 151.4 (3) | Cu1xiii—O11—Pb5 | 120.0 (4) |
O3—Pb6—Br2iii | 146.0 (2) | Se1—O12—Cu1xii | 125.4 (6) |
Br6iii—Pb6—Br2iii | 78.12 (6) | Se1—O12—Pb4i | 99.7 (4) |
Pb5vi—Br1—Pb4 | 102.91 (6) | Cu1xii—O12—Pb4i | 132.0 (6) |
Pb2ii—Br2—Pb6viii | 112.67 (6) | ||
O9—Se2—O1—Pb2 | 111.8 (7) | O3—Se4—O6—Pb3viii | 120.5 (5) |
O10—Se2—O1—Pb2 | −143.4 (8) | O8—Se3—O7—Pb4viii | −23.3 (8) |
O9—Se2—O1—Pb1 | −104.9 (6) | O2—Se3—O7—Pb4viii | −121.0 (7) |
O10—Se2—O1—Pb1 | −0.1 (6) | O7—Se3—O8—Cu1 | 89.6 (8) |
O8—Se3—O2—Pb2 | −100.1 (5) | O2—Se3—O8—Cu1 | −170.9 (7) |
O7—Se3—O2—Pb2 | 5.8 (6) | O7—Se3—O8—Pb3ix | −105.3 (6) |
O8—Se3—O2—Pb5xi | 130.0 (6) | O2—Se3—O8—Pb3ix | −5.7 (5) |
O7—Se3—O2—Pb5xi | −124.1 (6) | O1—Se2—O9—Pb6xii | −95.5 (6) |
O11—Se4—O3—Pb1 | 24.6 (8) | O10—Se2—O9—Pb6xii | 165.9 (6) |
O6—Se4—O3—Pb1 | 121.5 (7) | O1—Se2—O9—Pb3i | 107.5 (6) |
O11—Se4—O3—Pb6 | −92.2 (5) | O10—Se2—O9—Pb3i | 8.8 (7) |
O6—Se4—O3—Pb6 | 4.6 (4) | O9—Se2—O10—Cu1xiii | −92.4 (8) |
O5—Se1—O4—Pb6xii | 107.6 (8) | O1—Se2—O10—Cu1xiii | 162.7 (8) |
O12—Se1—O4—Pb6xii | −149.2 (8) | O9—Se2—O10—Pb1 | 105.0 (5) |
O5—Se1—O4—Pb4i | −107.5 (6) | O1—Se2—O10—Pb1 | 0.1 (6) |
O12—Se1—O4—Pb4i | −4.4 (6) | O3—Se4—O11—Cu1xiii | −88.1 (9) |
O4—Se1—O5—Pb5xi | 101.3 (6) | O6—Se4—O11—Cu1xiii | 173.9 (8) |
O12—Se1—O5—Pb5xi | 6.4 (7) | O3—Se4—O11—Pb5 | 100.3 (6) |
O4—Se1—O5—Pb2 | −95.8 (6) | O6—Se4—O11—Pb5 | 2.3 (5) |
O12—Se1—O5—Pb2 | 169.3 (5) | O4—Se1—O12—Cu1xii | 166.4 (9) |
O11—Se4—O6—Pb6 | 100.9 (5) | O5—Se1—O12—Cu1xii | −91.0 (9) |
O3—Se4—O6—Pb6 | −5.1 (5) | O4—Se1—O12—Pb4i | 3.9 (6) |
O11—Se4—O6—Pb3viii | −133.5 (6) | O5—Se1—O12—Pb4i | 106.6 (5) |
Symmetry codes: (i) −x, −y−1, −z−1; (ii) −x, −y, −z−1; (iii) −x, y−1/2, −z−1/2; (iv) −x+1, y−1/2, −z−1/2; (v) x−1, y, z; (vi) −x−1, −y−1, −z−1; (vii) x, −y−1/2, z+1/2; (viii) −x, y+1/2, −z−1/2; (ix) −x+1, y+1/2, −z−1/2; (x) x+1, −y−1/2, z+1/2; (xi) x+1, y, z; (xii) x, −y−1/2, z−1/2; (xiii) x−1, −y−1/2, z−1/2. |
Br0.67Cu0.67O2Pb0.33Se0.67 | F(000) = 1304 |
Mr = 249.34 | Dx = 5.427 Mg m−3 |
Orthorhombic, Cmcm | Mo Kα radiation, λ = 0.71073 Å |
a = 8.275 (8) Å | Cell parameters from 340 reflections |
b = 9.303 (9) Å | θ = 3.3–27.5° |
c = 11.891 (12) Å | µ = 39.62 mm−1 |
V = 915.4 (15) Å3 | T = 296 K |
Z = 12 | Prism |
Bruker Apex2 Duo diffractometer | θmax = 27.5°, θmin = 3.3° |
1577 measured reflections | h = −5→10 |
553 independent reflections | k = −12→8 |
431 reflections with I > 2σ(I) | l = −5→15 |
Rint = 0.053 |
Refinement on F2 | 6 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0282P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.036 | (Δ/σ)max < 0.001 |
wR(F2) = 0.075 | Δρmax = 1.93 e Å−3 |
S = 1.02 | Δρmin = −2.12 e Å−3 |
553 reflections | Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
39 parameters | Extinction coefficient: 0.00035 (7) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Pb1 | 0.0000 | 0.33496 (9) | 0.2500 | 0.0130 (3) | |
Se1 | 0.0000 | 0.31221 (15) | 0.54036 (11) | 0.0062 (4) | |
Br1 | 0.22773 (18) | 0.07717 (17) | 0.2500 | 0.0128 (4) | |
Cu1 | 0.1862 (2) | 0.0000 | 0.5000 | 0.0100 (5) | |
O1 | 0.1531 (8) | 0.3602 (7) | 0.4531 (6) | 0.0103 (16) | |
O2 | 0.0000 | 0.1287 (11) | 0.5177 (9) | 0.012 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.0179 (6) | 0.0095 (5) | 0.0114 (4) | 0.000 | 0.000 | 0.000 |
Se1 | 0.0045 (8) | 0.0047 (8) | 0.0095 (7) | 0.000 | 0.000 | −0.0006 (5) |
Br1 | 0.0121 (9) | 0.0134 (9) | 0.0128 (7) | 0.0047 (7) | 0.000 | 0.000 |
Cu1 | 0.0042 (10) | 0.0041 (10) | 0.0216 (10) | 0.000 | 0.000 | −0.0014 (7) |
O1 | 0.004 (4) | 0.007 (4) | 0.020 (4) | −0.003 (3) | 0.001 (3) | 0.002 (3) |
O2 | 0.008 (5) | 0.003 (5) | 0.025 (5) | 0.000 | 0.000 | −0.004 (4) |
Pb1—O1i | 2.737 (7) | Se1—O1 | 1.697 (7) |
Pb1—O1ii | 2.737 (7) | Se1—O2 | 1.728 (10) |
Pb1—O1iii | 2.737 (7) | Br1—Pb1vi | 3.187 (3) |
Pb1—O1 | 2.737 (7) | Cu1—O1vii | 1.942 (7) |
Pb1—Br1 | 3.050 (3) | Cu1—O1viii | 1.942 (7) |
Pb1—Br1i | 3.050 (3) | Cu1—O2 | 1.963 (7) |
Pb1—Br1iv | 3.187 (3) | Cu1—O2ix | 1.963 (7) |
Pb1—Br1v | 3.187 (3) | O1—Cu1vii | 1.942 (7) |
Se1—O1ii | 1.697 (7) | O2—Cu1ix | 1.963 (7) |
O1i—Pb1—O1ii | 123.8 (3) | O1ii—Pb1—Br1v | 67.18 (15) |
O1i—Pb1—O1iii | 55.1 (3) | O1iii—Pb1—Br1v | 105.46 (15) |
O1ii—Pb1—O1iii | 170.2 (3) | O1—Pb1—Br1v | 105.46 (15) |
O1i—Pb1—O1 | 170.2 (3) | Br1—Pb1—Br1v | 173.16 (6) |
O1ii—Pb1—O1 | 55.1 (3) | Br1i—Pb1—Br1v | 96.85 (8) |
O1iii—Pb1—O1 | 123.8 (3) | Br1iv—Pb1—Br1v | 89.99 (10) |
O1i—Pb1—Br1 | 110.70 (15) | O1ii—Se1—O1 | 96.5 (5) |
O1ii—Pb1—Br1 | 110.70 (15) | O1ii—Se1—O2 | 99.5 (3) |
O1iii—Pb1—Br1 | 77.38 (15) | O1—Se1—O2 | 99.5 (3) |
O1—Pb1—Br1 | 77.38 (15) | Pb1—Br1—Pb1vi | 173.16 (6) |
O1i—Pb1—Br1i | 77.38 (15) | O1vii—Cu1—O1viii | 93.6 (4) |
O1ii—Pb1—Br1i | 77.38 (15) | O1vii—Cu1—O2 | 95.6 (3) |
O1iii—Pb1—Br1i | 110.70 (15) | O1viii—Cu1—O2 | 167.7 (3) |
O1—Pb1—Br1i | 110.70 (15) | O1vii—Cu1—O2ix | 167.7 (3) |
Br1—Pb1—Br1i | 76.32 (10) | O1viii—Cu1—O2ix | 95.6 (3) |
O1i—Pb1—Br1iv | 105.46 (15) | O2—Cu1—O2ix | 76.5 (5) |
O1ii—Pb1—Br1iv | 105.46 (15) | Se1—O1—Cu1vii | 120.8 (4) |
O1iii—Pb1—Br1iv | 67.18 (15) | Se1—O1—Pb1 | 99.9 (3) |
O1—Pb1—Br1iv | 67.18 (15) | Cu1vii—O1—Pb1 | 128.9 (3) |
Br1—Pb1—Br1iv | 96.85 (8) | Se1—O2—Cu1ix | 128.3 (2) |
Br1i—Pb1—Br1iv | 173.17 (6) | Se1—O2—Cu1 | 128.3 (2) |
O1i—Pb1—Br1v | 67.18 (15) | Cu1ix—O2—Cu1 | 103.5 (5) |
Symmetry codes: (i) −x, y, −z+1/2; (ii) −x, y, z; (iii) x, y, −z+1/2; (iv) −x+1/2, y+1/2, −z+1/2; (v) x−1/2, y+1/2, z; (vi) x+1/2, y−1/2, z; (vii) −x+1/2, −y+1/2, −z+1; (viii) −x+1/2, y−1/2, z; (ix) −x, −y, −z+1. |
BrCu2O6Pb0.50Se2 | F(000) = 2000 |
Mr = 564.51 | Dx = 5.086 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 19.434 (8) Å | Cell parameters from 2105 reflections |
b = 8.542 (3) Å | θ = 2.1–36.8° |
c = 9.039 (3) Å | µ = 32.40 mm−1 |
β = 100.684 (10)° | T = 296 K |
V = 1474.6 (10) Å3 | Prism |
Z = 8 |
Bruker Apex2 Duo diffractometer | θmax = 36.8°, θmin = 2.1° |
11030 measured reflections | h = −32→11 |
3598 independent reflections | k = −14→14 |
2835 reflections with I > 2σ(I) | l = −15→15 |
Rint = 0.047 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.041P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.035 | (Δ/σ)max = 0.001 |
wR(F2) = 0.084 | Δρmax = 4.64 e Å−3 |
S = 1.01 | Δρmin = −3.22 e Å−3 |
3598 reflections | Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
106 parameters | Extinction coefficient: 0.00009 (4) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Pb1 | 0.0000 | 0.01049 (2) | 0.2500 | 0.01083 (7) | |
Se1 | 0.18424 (3) | 0.02022 (4) | 0.34453 (4) | 0.00752 (9) | |
Se2 | 0.12344 (3) | −0.56964 (4) | 0.28080 (4) | 0.00829 (9) | |
Br1 | −0.01836 (3) | −0.25103 (5) | 0.02374 (5) | 0.01356 (10) | |
Cu1 | 0.17438 (3) | −0.33100 (5) | 0.49072 (5) | 0.00873 (12) | |
Cu2 | 0.13466 (3) | 0.25055 (5) | 0.59093 (5) | 0.00843 (12) | |
O1 | 0.1530 (2) | −0.5642 (3) | 0.4758 (3) | 0.0098 (6) | |
O2 | 0.2058 (2) | −0.1171 (3) | 0.4829 (3) | 0.0101 (6) | |
O3 | 0.1871 (2) | −0.6615 (3) | 0.2132 (3) | 0.0108 (6) | |
O4 | 0.1244 (2) | −0.0707 (3) | 0.2120 (3) | 0.0109 (6) | |
O5 | 0.1484 (2) | −0.3754 (3) | 0.2729 (3) | 0.0109 (6) | |
O6 | 0.12201 (19) | 0.1304 (3) | 0.4080 (3) | 0.0097 (6) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.01309 (14) | 0.00903 (9) | 0.01039 (10) | 0.000 | 0.00218 (9) | 0.000 |
Se1 | 0.0111 (2) | 0.00458 (14) | 0.00711 (16) | 0.00013 (15) | 0.00222 (16) | 0.00023 (11) |
Se2 | 0.0137 (2) | 0.00565 (15) | 0.00560 (15) | −0.00039 (15) | 0.00204 (15) | −0.00063 (11) |
Br1 | 0.0157 (3) | 0.01294 (17) | 0.01216 (17) | −0.00269 (17) | 0.00302 (18) | −0.00289 (13) |
Cu1 | 0.0162 (3) | 0.00440 (18) | 0.00583 (19) | −0.00093 (19) | 0.0027 (2) | −0.00017 (15) |
Cu2 | 0.0162 (3) | 0.00380 (17) | 0.00569 (19) | −0.00025 (19) | 0.0030 (2) | −0.00023 (14) |
O1 | 0.0181 (19) | 0.0056 (10) | 0.0056 (11) | −0.0009 (12) | 0.0021 (12) | 0.0002 (9) |
O2 | 0.0141 (18) | 0.0053 (10) | 0.0103 (12) | −0.0008 (12) | 0.0009 (12) | 0.0025 (9) |
O3 | 0.017 (2) | 0.0090 (11) | 0.0076 (11) | 0.0038 (12) | 0.0047 (12) | 0.0008 (9) |
O4 | 0.0164 (19) | 0.0071 (11) | 0.0087 (12) | −0.0004 (12) | 0.0014 (12) | −0.0037 (9) |
O5 | 0.021 (2) | 0.0044 (10) | 0.0070 (11) | 0.0001 (12) | 0.0020 (12) | 0.0003 (9) |
O6 | 0.0139 (19) | 0.0084 (11) | 0.0074 (11) | 0.0015 (12) | 0.0033 (12) | −0.0037 (9) |
Pb1—O4 | 2.599 (4) | Cu1—O5 | 1.977 (3) |
Pb1—O4i | 2.599 (4) | Cu1—O3ii | 1.981 (3) |
Pb1—O6i | 2.731 (4) | Cu1—O1 | 2.034 (3) |
Pb1—O6 | 2.731 (4) | Cu1—O2iii | 2.340 (4) |
Pb1—Br1 | 3.0050 (9) | Cu2—O4iv | 1.917 (3) |
Pb1—Br1i | 3.0050 (9) | Cu2—O6 | 1.923 (3) |
Se1—O4 | 1.696 (3) | Cu2—O5iv | 1.936 (3) |
Se1—O2 | 1.710 (3) | Cu2—O1v | 1.963 (3) |
Se1—O6 | 1.713 (3) | O1—Cu2vi | 1.963 (3) |
Se2—O3 | 1.673 (3) | O2—Cu1iii | 2.340 (4) |
Se2—O5 | 1.734 (3) | O3—Cu1vii | 1.981 (3) |
Se2—O1 | 1.751 (3) | O4—Cu2viii | 1.918 (3) |
Se2—Cu1 | 2.8354 (9) | O5—Cu2viii | 1.937 (3) |
Cu1—O2 | 1.931 (3) | ||
O4—Pb1—O4i | 149.03 (13) | O5—Cu1—O2iii | 97.48 (14) |
O4—Pb1—O6i | 140.35 (9) | O3ii—Cu1—O2iii | 87.50 (13) |
O4i—Pb1—O6i | 55.28 (9) | O1—Cu1—O2iii | 90.47 (13) |
O4—Pb1—O6 | 55.28 (9) | O2—Cu1—Se2 | 136.81 (9) |
O4i—Pb1—O6 | 140.35 (9) | O5—Cu1—Se2 | 37.11 (8) |
O6i—Pb1—O6 | 135.92 (13) | O3ii—Cu1—Se2 | 128.19 (9) |
O4—Pb1—Br1 | 72.99 (6) | O1—Cu1—Se2 | 37.82 (8) |
O4i—Pb1—Br1 | 84.00 (7) | O2iii—Cu1—Se2 | 98.60 (7) |
O6i—Pb1—Br1 | 86.62 (6) | O4iv—Cu2—O6 | 93.04 (13) |
O6—Pb1—Br1 | 128.09 (7) | O4iv—Cu2—O5iv | 88.24 (13) |
O4—Pb1—Br1i | 84.01 (7) | O6—Cu2—O5iv | 178.64 (14) |
O4i—Pb1—Br1i | 72.99 (6) | O4iv—Cu2—O1v | 175.35 (16) |
O6i—Pb1—Br1i | 128.09 (7) | O6—Cu2—O1v | 88.91 (12) |
O6—Pb1—Br1i | 86.62 (6) | O5iv—Cu2—O1v | 89.78 (12) |
Br1—Pb1—Br1i | 83.96 (4) | Se2—O1—Cu2vi | 117.03 (16) |
O4—Se1—O2 | 104.20 (15) | Se2—O1—Cu1 | 96.75 (13) |
O4—Se1—O6 | 93.11 (17) | Cu2vi—O1—Cu1 | 144.03 (15) |
O2—Se1—O6 | 102.96 (15) | Se1—O2—Cu1 | 129.78 (18) |
O3—Se2—O5 | 101.64 (17) | Se1—O2—Cu1iii | 107.96 (16) |
O3—Se2—O1 | 104.67 (16) | Cu1—O2—Cu1iii | 97.61 (13) |
O5—Se2—O1 | 88.52 (14) | Se2—O3—Cu1vii | 115.14 (18) |
O3—Se2—Cu1 | 113.06 (12) | Se1—O4—Cu2viii | 129.8 (2) |
O5—Se2—Cu1 | 43.46 (9) | Se1—O4—Pb1 | 108.49 (14) |
O1—Se2—Cu1 | 45.44 (9) | Cu2viii—O4—Pb1 | 119.15 (16) |
O2—Cu1—O5 | 99.73 (12) | Se2—O5—Cu2viii | 124.50 (16) |
O2—Cu1—O3ii | 94.99 (12) | Se2—O5—Cu1 | 99.44 (13) |
O5—Cu1—O3ii | 164.95 (13) | Cu2viii—O5—Cu1 | 135.23 (15) |
O2—Cu1—O1 | 170.32 (15) | Se1—O6—Cu2 | 126.6 (2) |
O5—Cu1—O1 | 74.63 (11) | Se1—O6—Pb1 | 102.54 (12) |
O3ii—Cu1—O1 | 91.20 (11) | Cu2—O6—Pb1 | 127.60 (16) |
O2—Cu1—O2iii | 82.39 (13) |
Symmetry codes: (i) −x, y, −z+1/2; (ii) x, −y−1, z+1/2; (iii) −x+1/2, −y−1/2, −z+1; (iv) x, −y, z+1/2; (v) x, y+1, z; (vi) x, y−1, z; (vii) x, −y−1, z−1/2; (viii) x, −y, z−1/2. |
Br0.40Cu1.50O7.50Pb1.20Se2.50 | F(000) = 2407 |
Mr = 693.30 | Dx = 5.610 Mg m−3 |
Monoclinic, C2/m | Mo Kα radiation, λ = 0.71073 Å |
a = 19.502 (7) Å | Cell parameters from 1740 reflections |
b = 5.2408 (19) Å | θ = 2.1–28.0° |
c = 16.469 (6) Å | µ = 41.46 mm−1 |
β = 102.769 (9)° | T = 296 K |
V = 1641.6 (10) Å3 | Prism |
Z = 8 |
Bruker Apex 2 Duo diffractometer | θmax = 28.0°, θmin = 2.1° |
8724 measured reflections | h = −25→24 |
2192 independent reflections | k = −6→6 |
1856 reflections with I > 2σ(I) | l = −21→20 |
Rint = 0.037 |
Refinement on F2 | 6 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.039P)2 + 98.6741P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.039 | (Δ/σ)max < 0.001 |
wR(F2) = 0.096 | Δρmax = 4.69 e Å−3 |
S = 1.02 | Δρmin = −4.62 e Å−3 |
2192 reflections | Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
156 parameters | Extinction coefficient: 0.00010 (3) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Pb1 | 0.27057 (3) | 0.5000 | 0.11910 (4) | 0.01790 (17) | |
Pb2 | −0.06944 (4) | 0.5000 | 0.30177 (5) | 0.0393 (2) | |
Pb3 | 0.0000 | 0.0000 | 0.5000 | 0.0429 (4) | 0.8 |
Se1 | 0.11980 (7) | 0.5000 | 0.23810 (9) | 0.0137 (3) | |
Se2 | −0.34645 (7) | 0.5000 | 0.06181 (8) | 0.0117 (3) | |
Se3 | −0.03431 (7) | 0.0000 | 0.14326 (10) | 0.0171 (3) | |
Se4 | −0.17456 (7) | 0.0000 | 0.34738 (9) | 0.0152 (3) | |
Se5 | 0.11184 (9) | 0.5000 | 0.45295 (10) | 0.0214 (3) | |
Cu1 | −0.39573 (9) | 0.5000 | 0.34409 (12) | 0.0158 (4) | |
Cu2 | −0.26646 (8) | 0.5000 | 0.27448 (11) | 0.0133 (4) | |
Cu3 | −0.11477 (9) | 0.5000 | 0.06780 (11) | 0.0127 (3) | |
Br1 | 0.0000 | 0.5000 | 0.0000 | 0.0280 (5) | |
Br2 | −0.2685 (3) | 0.5000 | 0.4611 (3) | 0.0297 (13) | 0.3 |
O1 | −0.2712 (5) | 0.5000 | 0.1351 (6) | 0.0120 (19) | |
O2 | 0.1543 (6) | 0.5000 | 0.1568 (7) | 0.026 (3) | |
O3 | −0.0870 (6) | 0.0000 | 0.3609 (8) | 0.031 (3) | |
O4 | 0.0851 (9) | 0.5000 | 0.5407 (9) | 0.065 (5) | |
O5 | 0.0236 (10) | 0.0000 | 0.2298 (14) | 0.098 (8) | |
O6 | −0.1924 (3) | −0.2476 (14) | 0.2781 (5) | 0.0196 (16) | |
O7 | 0.1623 (4) | 0.2480 (13) | 0.2964 (5) | 0.0207 (16) | |
O8 | −0.3268 (4) | 0.7458 (14) | 0.0024 (4) | 0.0173 (14) | |
O9 | −0.0871 (4) | −0.2490 (14) | 0.1567 (5) | 0.0251 (17) | |
O10 | 0.0611 (5) | 0.2579 (17) | 0.4008 (7) | 0.042 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.0202 (3) | 0.0143 (3) | 0.0206 (3) | 0.000 | 0.0078 (2) | 0.000 |
Pb2 | 0.0233 (3) | 0.0667 (5) | 0.0288 (4) | 0.000 | 0.0076 (3) | 0.000 |
Pb3 | 0.0195 (5) | 0.0951 (12) | 0.0152 (5) | 0.000 | 0.0066 (4) | 0.000 |
Se1 | 0.0127 (6) | 0.0081 (6) | 0.0223 (7) | 0.000 | 0.0084 (5) | 0.000 |
Se2 | 0.0132 (6) | 0.0100 (6) | 0.0123 (6) | 0.000 | 0.0037 (5) | 0.000 |
Se3 | 0.0148 (6) | 0.0091 (6) | 0.0269 (8) | 0.000 | 0.0034 (6) | 0.000 |
Se4 | 0.0201 (7) | 0.0093 (6) | 0.0157 (7) | 0.000 | 0.0027 (5) | 0.000 |
Se5 | 0.0319 (8) | 0.0137 (7) | 0.0221 (8) | 0.000 | 0.0137 (6) | 0.000 |
Cu1 | 0.0202 (8) | 0.0067 (8) | 0.0233 (9) | 0.000 | 0.0109 (7) | 0.000 |
Cu2 | 0.0130 (7) | 0.0063 (7) | 0.0211 (9) | 0.000 | 0.0046 (7) | 0.000 |
Cu3 | 0.0178 (8) | 0.0064 (7) | 0.0131 (8) | 0.000 | 0.0019 (7) | 0.000 |
Br1 | 0.0192 (10) | 0.0298 (12) | 0.0398 (14) | 0.000 | 0.0167 (10) | 0.000 |
Br2 | 0.012 (2) | 0.063 (4) | 0.010 (2) | 0.000 | −0.0063 (18) | 0.000 |
O1 | 0.022 (4) | 0.001 (4) | 0.013 (4) | 0.000 | 0.002 (4) | 0.000 |
O2 | 0.024 (6) | 0.030 (6) | 0.026 (6) | 0.000 | 0.012 (5) | 0.000 |
O3 | 0.025 (6) | 0.028 (6) | 0.033 (7) | 0.000 | −0.006 (5) | 0.000 |
O4 | 0.075 (11) | 0.106 (15) | 0.022 (7) | 0.000 | 0.027 (8) | 0.000 |
O5 | 0.069 (12) | 0.093 (15) | 0.092 (15) | 0.000 | −0.068 (12) | 0.000 |
O6 | 0.017 (3) | 0.010 (3) | 0.032 (4) | −0.007 (3) | 0.007 (3) | −0.004 (3) |
O7 | 0.027 (4) | 0.002 (3) | 0.036 (4) | 0.006 (3) | 0.015 (3) | 0.005 (3) |
O8 | 0.021 (3) | 0.014 (3) | 0.017 (3) | 0.005 (3) | 0.006 (3) | 0.005 (3) |
O9 | 0.046 (5) | 0.011 (3) | 0.022 (4) | −0.013 (3) | 0.014 (4) | 0.003 (3) |
O10 | 0.036 (5) | 0.026 (5) | 0.073 (7) | −0.008 (4) | 0.029 (5) | −0.030 (5) |
Pb1—O2 | 2.479 (11) | Se4—O3 | 1.673 (12) |
Pb1—O8i | 2.731 (7) | Se4—O6viii | 1.712 (7) |
Pb1—O8ii | 2.731 (7) | Se4—O6 | 1.712 (7) |
Pb1—O1i | 2.774 (3) | Se4—Pb2xiii | 3.5091 (14) |
Pb1—O1iii | 2.774 (3) | Se5—O4 | 1.641 (14) |
Pb1—O8iv | 2.800 (7) | Se5—O10 | 1.717 (9) |
Pb1—O8v | 2.800 (7) | Se5—O10x | 1.717 (9) |
Pb1—O6vi | 2.868 (8) | Se5—Pb3ix | 3.6016 (14) |
Pb1—O6iii | 2.868 (8) | Cu1—O10xiv | 1.938 (8) |
Pb1—O9vi | 3.005 (9) | Cu1—O10xvi | 1.938 (8) |
Pb1—O9iii | 3.005 (9) | Cu1—O7xiv | 1.995 (7) |
Pb1—Se2i | 3.4660 (13) | Cu1—O7xvi | 1.995 (7) |
Pb2—O4vii | 2.679 (14) | Cu1—O5xiv | 2.170 (16) |
Pb2—O9viii | 2.681 (7) | Cu1—Br2 | 2.785 (5) |
Pb2—O9ix | 2.681 (7) | Cu1—Cu2 | 2.991 (3) |
Pb2—O6viii | 2.690 (7) | Cu1—Pb3xiv | 3.611 (2) |
Pb2—O6ix | 2.690 (7) | Cu2—O6ix | 1.950 (7) |
Pb2—O3ix | 2.842 (5) | Cu2—O6viii | 1.950 (7) |
Pb2—O3 | 2.842 (5) | Cu2—O7xvi | 1.993 (7) |
Pb2—O10x | 2.986 (10) | Cu2—O7xiv | 1.993 (7) |
Pb2—O10 | 2.987 (10) | Cu2—O1 | 2.277 (10) |
Pb2—Se4ix | 3.5092 (14) | Cu3—O9ix | 1.954 (8) |
Pb2—Se4 | 3.5092 (14) | Cu3—O9viii | 1.954 (8) |
Pb2—Cu3 | 3.758 (2) | Cu3—O8xvii | 1.957 (7) |
Pb3—O3xi | 2.531 (12) | Cu3—O8xviii | 1.957 (7) |
Pb3—O3 | 2.531 (12) | Cu3—Br1 | 2.7130 (19) |
Pb3—O10viii | 2.603 (10) | Cu3—Pb1xv | 3.6628 (15) |
Pb3—O10xii | 2.603 (10) | Cu3—Pb1xiv | 3.6628 (15) |
Pb3—O10xi | 2.603 (10) | Br1—Cu3iv | 2.7130 (19) |
Pb3—O10 | 2.603 (10) | O1—Pb1xiv | 2.774 (3) |
Pb3—O4 | 3.095 (10) | O1—Pb1xv | 2.774 (3) |
Pb3—O4xi | 3.095 (10) | O3—Pb2xiii | 2.842 (5) |
Pb3—O4vii | 3.095 (10) | O4—Pb2vii | 2.679 (14) |
Pb3—O4xiii | 3.095 (10) | O4—Pb3ix | 3.095 (10) |
Pb3—Se5xi | 3.6015 (14) | O5—Cu1i | 2.170 (16) |
Pb3—Se5xiii | 3.6015 (14) | O6—Cu2xiii | 1.950 (7) |
Se1—O2 | 1.626 (11) | O6—Pb2xiii | 2.690 (7) |
Se1—O7 | 1.733 (7) | O6—Pb1xv | 2.868 (8) |
Se1—O7x | 1.733 (7) | O7—Cu2i | 1.993 (7) |
Se2—O1 | 1.681 (9) | O7—Cu1i | 1.995 (7) |
Se2—O8 | 1.711 (7) | O8—Cu3xviii | 1.957 (7) |
Se2—O8x | 1.711 (7) | O8—Pb1xiv | 2.731 (7) |
Se2—Pb1xiv | 3.4659 (13) | O8—Pb1iv | 2.800 (7) |
Se2—Pb1xv | 3.4659 (13) | O9—Cu3xiii | 1.954 (8) |
Se2—Pb1iv | 3.6078 (18) | O9—Pb2xiii | 2.681 (7) |
Se3—O5 | 1.611 (16) | O9—Pb1xv | 3.005 (9) |
Se3—O9viii | 1.707 (7) | O10—Cu1i | 1.938 (8) |
Se3—O9 | 1.707 (7) | ||
O2—Pb1—O8i | 69.2 (3) | O10—Pb3—Se5xi | 153.6 (2) |
O2—Pb1—O8ii | 69.2 (3) | O4—Pb3—Se5xi | 153.0 (3) |
O8i—Pb1—O8ii | 58.4 (3) | O4xi—Pb3—Se5xi | 27.0 (3) |
O2—Pb1—O1i | 70.86 (19) | O4vii—Pb3—Se5xi | 110.0 (3) |
O8i—Pb1—O1i | 55.4 (2) | O4xiii—Pb3—Se5xi | 70.0 (3) |
O8ii—Pb1—O1i | 110.8 (2) | O3xi—Pb3—Se5xiii | 83.0 (2) |
O2—Pb1—O1iii | 70.86 (19) | O3—Pb3—Se5xiii | 97.0 (2) |
O8i—Pb1—O1iii | 110.8 (2) | O10viii—Pb3—Se5xiii | 26.4 (2) |
O8ii—Pb1—O1iii | 55.4 (2) | O10xii—Pb3—Se5xiii | 153.6 (2) |
O1i—Pb1—O1iii | 141.7 (4) | O10xi—Pb3—Se5xiii | 98.07 (19) |
O2—Pb1—O8iv | 134.7 (3) | O10—Pb3—Se5xiii | 81.93 (19) |
O8i—Pb1—O8iv | 66.0 (2) | O4—Pb3—Se5xiii | 110.0 (3) |
O8ii—Pb1—O8iv | 92.44 (15) | O4xi—Pb3—Se5xiii | 70.0 (3) |
O1i—Pb1—O8iv | 78.6 (2) | O4vii—Pb3—Se5xiii | 153.0 (3) |
O1iii—Pb1—O8iv | 132.2 (2) | O4xiii—Pb3—Se5xiii | 27.0 (3) |
O2—Pb1—O8v | 134.7 (3) | Se5xi—Pb3—Se5xiii | 86.63 (5) |
O8i—Pb1—O8v | 92.44 (15) | O2—Se1—O7 | 102.8 (4) |
O8ii—Pb1—O8v | 66.0 (2) | O2—Se1—O7x | 102.8 (4) |
O1i—Pb1—O8v | 132.2 (2) | O7—Se1—O7x | 99.3 (5) |
O1iii—Pb1—O8v | 78.6 (2) | O1—Se2—O8 | 98.0 (3) |
O8iv—Pb1—O8v | 54.8 (3) | O1—Se2—O8x | 98.0 (3) |
O2—Pb1—O6vi | 80.3 (3) | O8—Se2—O8x | 97.7 (5) |
O8i—Pb1—O6vi | 149.2 (2) | O1—Se2—Pb1xiv | 52.19 (10) |
O8ii—Pb1—O6vi | 114.7 (2) | O8—Se2—Pb1xiv | 50.9 (2) |
O1i—Pb1—O6vi | 111.1 (2) | O8x—Se2—Pb1xiv | 120.5 (2) |
O1iii—Pb1—O6vi | 60.4 (2) | O1—Se2—Pb1xv | 52.19 (10) |
O8iv—Pb1—O6vi | 143.28 (19) | O8—Se2—Pb1xv | 120.5 (2) |
O8v—Pb1—O6vi | 112.7 (2) | O8x—Se2—Pb1xv | 50.9 (2) |
O2—Pb1—O6iii | 80.3 (3) | Pb1xiv—Se2—Pb1xv | 98.23 (5) |
O8i—Pb1—O6iii | 114.7 (2) | O1—Se2—Pb1iv | 98.1 (3) |
O8ii—Pb1—O6iii | 149.2 (2) | O8—Se2—Pb1iv | 49.0 (2) |
O1i—Pb1—O6iii | 60.4 (2) | O8x—Se2—Pb1iv | 49.0 (2) |
O1iii—Pb1—O6iii | 111.1 (2) | Pb1xiv—Se2—Pb1iv | 81.91 (3) |
O8iv—Pb1—O6iii | 112.7 (2) | Pb1xv—Se2—Pb1iv | 81.91 (3) |
O8v—Pb1—O6iii | 143.28 (19) | O5—Se3—O9viii | 102.1 (7) |
O6vi—Pb1—O6iii | 53.8 (3) | O5—Se3—O9 | 102.1 (7) |
O2—Pb1—O9vi | 143.4 (2) | O9viii—Se3—O9 | 99.7 (6) |
O8i—Pb1—O9vi | 145.5 (2) | O3—Se4—O6viii | 98.0 (4) |
O8ii—Pb1—O9vi | 113.6 (2) | O3—Se4—O6 | 98.0 (4) |
O1i—Pb1—O9vi | 131.9 (2) | O6viii—Se4—O6 | 98.5 (5) |
O1iii—Pb1—O9vi | 81.2 (2) | O3—Se4—Pb2xiii | 53.20 (16) |
O8iv—Pb1—O9vi | 81.8 (2) | O6viii—Se4—Pb2xiii | 117.7 (2) |
O8v—Pb1—O9vi | 57.2 (2) | O6—Se4—Pb2xiii | 48.2 (2) |
O6vi—Pb1—O9vi | 65.19 (19) | O3—Se4—Pb2 | 53.20 (16) |
O6iii—Pb1—O9vi | 88.48 (19) | O6viii—Se4—Pb2 | 48.2 (2) |
O2—Pb1—O9iii | 143.4 (2) | O6—Se4—Pb2 | 117.7 (2) |
O8i—Pb1—O9iii | 113.6 (2) | Pb2xiii—Se4—Pb2 | 96.62 (5) |
O8ii—Pb1—O9iii | 145.5 (2) | O4—Se5—O10 | 100.4 (5) |
O1i—Pb1—O9iii | 81.2 (2) | O4—Se5—O10x | 100.4 (5) |
O1iii—Pb1—O9iii | 131.9 (2) | O10—Se5—O10x | 95.3 (7) |
O8iv—Pb1—O9iii | 57.2 (2) | O4—Se5—Pb3 | 59.0 (3) |
O8v—Pb1—O9iii | 81.8 (2) | O10—Se5—Pb3 | 42.3 (4) |
O6vi—Pb1—O9iii | 88.48 (19) | O10x—Se5—Pb3 | 109.6 (3) |
O6iii—Pb1—O9iii | 65.19 (19) | O4—Se5—Pb3ix | 59.0 (3) |
O9vi—Pb1—O9iii | 51.5 (3) | O10—Se5—Pb3ix | 109.6 (3) |
O2—Pb1—Se2i | 58.98 (13) | O10x—Se5—Pb3ix | 42.3 (4) |
O8i—Pb1—Se2i | 29.09 (15) | Pb3—Se5—Pb3ix | 93.37 (5) |
O8ii—Pb1—Se2i | 82.17 (15) | O10xiv—Cu1—O10xvi | 88.5 (6) |
O1i—Pb1—Se2i | 28.60 (19) | O10xiv—Cu1—O7xiv | 94.6 (3) |
O1iii—Pb1—Se2i | 123.39 (19) | O10xvi—Cu1—O7xiv | 171.4 (4) |
O8iv—Pb1—Se2i | 78.21 (15) | O10xiv—Cu1—O7xvi | 171.4 (4) |
O8v—Pb1—Se2i | 119.44 (14) | O10xvi—Cu1—O7xvi | 94.6 (3) |
O6vi—Pb1—Se2i | 127.48 (15) | O7xiv—Cu1—O7xvi | 81.3 (4) |
O6iii—Pb1—Se2i | 85.66 (14) | O10xiv—Cu1—O5xiv | 96.3 (6) |
O9vi—Pb1—Se2i | 155.10 (14) | O10xvi—Cu1—O5xiv | 96.3 (6) |
O9iii—Pb1—Se2i | 104.50 (14) | O7xiv—Cu1—O5xiv | 91.4 (6) |
O4vii—Pb2—O9viii | 147.5 (2) | O7xvi—Cu1—O5xiv | 91.4 (6) |
O4vii—Pb2—O9ix | 147.5 (2) | O10xiv—Cu1—Br2 | 94.7 (3) |
O9viii—Pb2—O9ix | 58.7 (3) | O10xvi—Cu1—Br2 | 94.7 (3) |
O4vii—Pb2—O6viii | 81.5 (4) | O7xiv—Cu1—Br2 | 77.0 (2) |
O9viii—Pb2—O6viii | 72.2 (2) | O7xvi—Cu1—Br2 | 77.0 (2) |
O9ix—Pb2—O6viii | 100.2 (2) | O5xiv—Cu1—Br2 | 164.7 (7) |
O4vii—Pb2—O6ix | 81.5 (4) | O10xiv—Cu1—Cu2 | 132.6 (3) |
O9viii—Pb2—O6ix | 100.2 (2) | O10xvi—Cu1—Cu2 | 132.6 (3) |
O9ix—Pb2—O6ix | 72.2 (2) | O7xiv—Cu1—Cu2 | 41.37 (19) |
O6viii—Pb2—O6ix | 58.9 (3) | O7xvi—Cu1—Cu2 | 41.4 (2) |
O4vii—Pb2—O3ix | 67.7 (2) | O5xiv—Cu1—Cu2 | 100.3 (7) |
O9viii—Pb2—O3ix | 139.1 (3) | Br2—Cu1—Cu2 | 64.37 (12) |
O9ix—Pb2—O3ix | 81.5 (3) | O10xiv—Cu1—Pb3xiv | 44.3 (3) |
O6viii—Pb2—O3ix | 109.4 (3) | O10xvi—Cu1—Pb3xiv | 44.3 (3) |
O6ix—Pb2—O3ix | 54.9 (3) | O7xiv—Cu1—Pb3xiv | 137.5 (2) |
O4vii—Pb2—O3 | 67.7 (2) | O7xvi—Cu1—Pb3xiv | 137.5 (2) |
O9viii—Pb2—O3 | 81.5 (3) | O5xiv—Cu1—Pb3xiv | 101.7 (7) |
O9ix—Pb2—O3 | 139.1 (3) | Br2—Cu1—Pb3xiv | 93.66 (13) |
O6viii—Pb2—O3 | 54.9 (3) | Cu2—Cu1—Pb3xiv | 158.03 (7) |
O6ix—Pb2—O3 | 109.4 (3) | O6ix—Cu2—O6viii | 85.4 (4) |
O3ix—Pb2—O3 | 134.4 (5) | O6ix—Cu2—O7xvi | 168.0 (3) |
O4vii—Pb2—O10x | 74.8 (4) | O6viii—Cu2—O7xvi | 95.4 (3) |
O9viii—Pb2—O10x | 128.4 (3) | O6ix—Cu2—O7xiv | 95.4 (3) |
O9ix—Pb2—O10x | 101.8 (2) | O6viii—Cu2—O7xiv | 168.0 (3) |
O6viii—Pb2—O10x | 155.9 (2) | O7xvi—Cu2—O7xiv | 81.4 (4) |
O6ix—Pb2—O10x | 119.7 (2) | O6ix—Cu2—O1 | 84.0 (3) |
O3ix—Pb2—O10x | 64.8 (3) | O6viii—Cu2—O1 | 84.0 (3) |
O3—Pb2—O10x | 110.9 (3) | O7xvi—Cu2—O1 | 107.9 (3) |
O4vii—Pb2—O10 | 74.8 (4) | O7xiv—Cu2—O1 | 107.9 (3) |
O9viii—Pb2—O10 | 101.8 (2) | O6ix—Cu2—Cu1 | 132.1 (2) |
O9ix—Pb2—O10 | 128.4 (3) | O6viii—Cu2—Cu1 | 132.1 (2) |
O6viii—Pb2—O10 | 119.7 (2) | O7xvi—Cu2—Cu1 | 41.4 (2) |
O6ix—Pb2—O10 | 155.9 (2) | O7xiv—Cu2—Cu1 | 41.4 (2) |
O3ix—Pb2—O10 | 110.9 (3) | O1—Cu2—Cu1 | 122.4 (3) |
O3—Pb2—O10 | 64.8 (3) | O6ix—Cu2—Pb2 | 42.9 (2) |
O10x—Pb2—O10 | 50.3 (3) | O6viii—Cu2—Pb2 | 42.9 (2) |
O4vii—Pb2—Se4ix | 66.1 (2) | O7xvi—Cu2—Pb2 | 135.4 (2) |
O9viii—Pb2—Se4ix | 126.22 (17) | O7xiv—Cu2—Pb2 | 135.4 (2) |
O9ix—Pb2—Se4ix | 81.85 (18) | O1—Cu2—Pb2 | 86.2 (2) |
O6viii—Pb2—Se4ix | 81.61 (15) | Cu1—Cu2—Pb2 | 151.37 (7) |
O6ix—Pb2—Se4ix | 28.33 (15) | O9ix—Cu3—O9viii | 84.6 (4) |
O3ix—Pb2—Se4ix | 28.1 (2) | O9ix—Cu3—O8xvii | 158.4 (3) |
O3—Pb2—Se4ix | 119.7 (2) | O9viii—Cu3—O8xvii | 90.8 (3) |
O10x—Pb2—Se4ix | 91.93 (18) | O9ix—Cu3—O8xviii | 90.8 (3) |
O10—Pb2—Se4ix | 131.93 (17) | O9viii—Cu3—O8xviii | 158.4 (3) |
O4vii—Pb2—Se4 | 66.1 (2) | O8xvii—Cu3—O8xviii | 85.8 (4) |
O9viii—Pb2—Se4 | 81.85 (18) | O9ix—Cu3—Br1 | 101.1 (2) |
O9ix—Pb2—Se4 | 126.22 (17) | O9viii—Cu3—Br1 | 101.1 (2) |
O6viii—Pb2—Se4 | 28.33 (15) | O8xvii—Cu3—Br1 | 100.5 (2) |
O6ix—Pb2—Se4 | 81.61 (15) | O8xviii—Cu3—Br1 | 100.5 (2) |
O3ix—Pb2—Se4 | 119.7 (2) | O9ix—Cu3—Pb1xv | 113.0 (2) |
O3—Pb2—Se4 | 28.1 (2) | O9viii—Cu3—Pb1xv | 55.0 (3) |
O10x—Pb2—Se4 | 131.93 (17) | O8xvii—Cu3—Pb1xv | 49.0 (2) |
O10—Pb2—Se4 | 91.93 (18) | O8xviii—Cu3—Pb1xv | 108.5 (2) |
Se4ix—Pb2—Se4 | 96.62 (5) | Br1—Cu3—Pb1xv | 134.12 (2) |
O4vii—Pb2—Cu3 | 160.3 (4) | O9ix—Cu3—Pb1xiv | 55.0 (3) |
O9viii—Pb2—Cu3 | 29.76 (16) | O9viii—Cu3—Pb1xiv | 113.0 (2) |
O9ix—Pb2—Cu3 | 29.76 (16) | O8xvii—Cu3—Pb1xiv | 108.5 (2) |
O6viii—Pb2—Cu3 | 81.44 (16) | O8xviii—Cu3—Pb1xiv | 49.0 (2) |
O6ix—Pb2—Cu3 | 81.44 (16) | Br1—Cu3—Pb1xiv | 134.12 (2) |
O3ix—Pb2—Cu3 | 109.4 (2) | Pb1xv—Cu3—Pb1xiv | 91.35 (5) |
O3—Pb2—Cu3 | 109.4 (2) | O9ix—Cu3—Pb2 | 42.9 (2) |
O10x—Pb2—Cu3 | 122.61 (18) | O9viii—Cu3—Pb2 | 42.9 (2) |
O10—Pb2—Cu3 | 122.61 (18) | O8xvii—Cu3—Pb2 | 125.5 (2) |
Se4ix—Pb2—Cu3 | 101.73 (3) | O8xviii—Cu3—Pb2 | 125.5 (2) |
Se4—Pb2—Cu3 | 101.73 (3) | Br1—Cu3—Pb2 | 113.17 (5) |
O3xi—Pb3—O3 | 180.0 | Pb1xv—Cu3—Pb2 | 77.33 (3) |
O3xi—Pb3—O10viii | 105.1 (3) | Pb1xiv—Cu3—Pb2 | 77.33 (3) |
O3—Pb3—O10viii | 74.9 (3) | Cu3iv—Br1—Cu3 | 180.0 |
O3xi—Pb3—O10xii | 74.9 (3) | Se2—O1—Cu2 | 124.0 (5) |
O3—Pb3—O10xii | 105.1 (3) | Se2—O1—Pb1xiv | 99.2 (2) |
O10viii—Pb3—O10xii | 180.0 (3) | Cu2—O1—Pb1xiv | 98.5 (2) |
O3xi—Pb3—O10xi | 74.9 (3) | Se2—O1—Pb1xv | 99.2 (2) |
O3—Pb3—O10xi | 105.1 (3) | Cu2—O1—Pb1xv | 98.5 (2) |
O10viii—Pb3—O10xi | 117.4 (4) | Pb1xiv—O1—Pb1xv | 141.7 (4) |
O10xii—Pb3—O10xi | 62.6 (4) | Se1—O2—Pb1 | 140.7 (6) |
O3xi—Pb3—O10 | 105.1 (3) | Se4—O3—Pb3 | 125.5 (7) |
O3—Pb3—O10 | 74.9 (3) | Se4—O3—Pb2xiii | 98.7 (3) |
O10viii—Pb3—O10 | 62.6 (4) | Pb3—O3—Pb2xiii | 101.7 (2) |
O10xii—Pb3—O10 | 117.4 (4) | Se4—O3—Pb2 | 98.7 (3) |
O10xi—Pb3—O10 | 180.0 | Pb3—O3—Pb2 | 101.7 (2) |
O3xi—Pb3—O4 | 65.4 (3) | Pb2xiii—O3—Pb2 | 134.4 (5) |
O3—Pb3—O4 | 114.6 (3) | Se5—O4—Pb2vii | 168.4 (10) |
O10viii—Pb3—O4 | 106.1 (3) | Se5—O4—Pb3 | 93.9 (4) |
O10xii—Pb3—O4 | 73.9 (3) | Pb2vii—O4—Pb3 | 92.2 (3) |
O10xi—Pb3—O4 | 127.0 (3) | Se5—O4—Pb3ix | 93.9 (4) |
O10—Pb3—O4 | 53.0 (3) | Pb2vii—O4—Pb3ix | 92.2 (3) |
O3xi—Pb3—O4xi | 114.6 (3) | Pb3—O4—Pb3ix | 115.7 (6) |
O3—Pb3—O4xi | 65.4 (3) | Se3—O5—Cu1i | 178.1 (17) |
O10viii—Pb3—O4xi | 73.9 (3) | Se4—O6—Cu2xiii | 125.0 (4) |
O10xii—Pb3—O4xi | 106.1 (3) | Se4—O6—Pb2xiii | 103.5 (3) |
O10xi—Pb3—O4xi | 53.0 (3) | Cu2xiii—O6—Pb2xiii | 107.5 (3) |
O10—Pb3—O4xi | 127.0 (3) | Se4—O6—Pb1xv | 103.8 (3) |
O4—Pb3—O4xi | 180.0 | Cu2xiii—O6—Pb1xv | 104.1 (3) |
O3xi—Pb3—O4vii | 114.6 (3) | Pb2xiii—O6—Pb1xv | 113.0 (2) |
O3—Pb3—O4vii | 65.4 (3) | Se1—O7—Cu2i | 131.6 (4) |
O10viii—Pb3—O4vii | 127.0 (3) | Se1—O7—Cu1i | 118.1 (4) |
O10xii—Pb3—O4vii | 53.0 (3) | Cu2i—O7—Cu1i | 97.2 (3) |
O10xi—Pb3—O4vii | 106.1 (3) | Se2—O8—Cu3xviii | 132.5 (4) |
O10—Pb3—O4vii | 73.9 (3) | Se2—O8—Pb1xiv | 100.0 (3) |
O4—Pb3—O4vii | 64.3 (6) | Cu3xviii—O8—Pb1xiv | 107.9 (3) |
O4xi—Pb3—O4vii | 115.7 (6) | Se2—O8—Pb1iv | 103.6 (3) |
O3xi—Pb3—O4xiii | 65.4 (3) | Cu3xviii—O8—Pb1iv | 99.2 (3) |
O3—Pb3—O4xiii | 114.6 (3) | Pb1xiv—O8—Pb1iv | 114.0 (2) |
O10viii—Pb3—O4xiii | 53.0 (3) | Se3—O9—Cu3xiii | 119.4 (4) |
O10xii—Pb3—O4xiii | 127.0 (3) | Se3—O9—Pb2xiii | 121.9 (4) |
O10xi—Pb3—O4xiii | 73.9 (3) | Cu3xiii—O9—Pb2xiii | 107.3 (3) |
O10—Pb3—O4xiii | 106.1 (3) | Se3—O9—Pb1xv | 101.4 (3) |
O4—Pb3—O4xiii | 115.7 (6) | Cu3xiii—O9—Pb1xv | 92.8 (3) |
O4xi—Pb3—O4xiii | 64.3 (6) | Pb2xiii—O9—Pb1xv | 109.1 (3) |
O4vii—Pb3—O4xiii | 180.0 | Se5—O10—Cu1i | 119.5 (5) |
O3xi—Pb3—Se5xi | 97.0 (2) | Se5—O10—Pb3 | 111.3 (5) |
O3—Pb3—Se5xi | 83.0 (2) | Cu1i—O10—Pb3 | 104.4 (4) |
O10viii—Pb3—Se5xi | 98.07 (19) | Se5—O10—Pb2 | 106.6 (4) |
O10xii—Pb3—Se5xi | 81.93 (19) | Cu1i—O10—Pb2 | 116.2 (4) |
O10xi—Pb3—Se5xi | 26.4 (2) | Pb3—O10—Pb2 | 96.3 (3) |
Symmetry codes: (i) x+1/2, y−1/2, z; (ii) x+1/2, −y+3/2, z; (iii) x+1/2, y+1/2, z; (iv) −x, −y+1, −z; (v) −x, y, −z; (vi) x+1/2, −y+1/2, z; (vii) −x, −y+1, −z+1; (viii) x, −y, z; (ix) x, y+1, z; (x) x, −y+1, z; (xi) −x, −y, −z+1; (xii) −x, y, −z+1; (xiii) x, y−1, z; (xiv) x−1/2, y+1/2, z; (xv) x−1/2, y−1/2, z; (xvi) x−1/2, −y+1/2, z; (xvii) −x−1/2, y−1/2, −z; (xviii) −x−1/2, −y+3/2, −z. |
Br1.75Cu2.50O4Pb0.50Se | F(000) = 1926 |
Mr = 545.25 | Dx = 5.103 Mg m−3 |
Monoclinic, C2/m | Mo Kα radiation, λ = 0.71073 Å |
a = 19.049 (10) Å | Cell parameters from 1494 reflections |
b = 6.226 (3) Å | θ = 1.7–30.8° |
c = 12.726 (7) Å | µ = 34.17 mm−1 |
β = 109.843 (12)° | T = 296 K |
V = 1419.5 (13) Å3 | Prism |
Z = 8 |
Bruker Apex 2 Duo diffractometer | θmax = 30.8°, θmin = 1.7° |
7541 measured reflections | h = −27→27 |
2401 independent reflections | k = −8→7 |
1629 reflections with I > 2σ(I) | l = −18→12 |
Rint = 0.067 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0208P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.041 | (Δ/σ)max < 0.001 |
wR(F2) = 0.071 | Δρmax = 1.80 e Å−3 |
S = 0.94 | Δρmin = −2.04 e Å−3 |
2401 reflections | Extinction correction: SHELXL-2018/3 (Sheldrick 2018), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
114 parameters | Extinction coefficient: 0.00017 (3) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Pb1 | 0.71498 (2) | 1.000000 | 0.33393 (4) | 0.01556 (12) | |
Se1 | 0.32474 (6) | 0.500000 | −0.15617 (8) | 0.0119 (2) | |
Se2 | 0.59671 (6) | 1.000000 | 0.73241 (8) | 0.0117 (2) | |
Br1 | 0.70414 (6) | 1.000000 | 0.57105 (9) | 0.0205 (3) | |
Br2 | 0.59980 (7) | 0.500000 | 0.44869 (10) | 0.0264 (3) | |
Br3 | 0.500000 | 0.000000 | 0.000000 | 0.0317 (5) | |
Br4 | 0.27772 (7) | 0.500000 | 0.12952 (11) | 0.0333 (4) | |
Cu1 | 0.57107 (7) | 1.000000 | 0.46021 (10) | 0.0154 (3) | |
Cu2 | 0.54663 (5) | 0.75625 (16) | 0.22707 (8) | 0.0147 (2) | |
Cu3 | 0.500000 | 0.500000 | 0.000000 | 0.0164 (4) | |
Cu4 | 0.40277 (8) | 0.500000 | 0.13963 (12) | 0.0202 (3) | |
Cu5 | 0.500000 | 0.500000 | 0.500000 | 0.0502 (8) | |
O1 | 0.5053 (4) | 0.500000 | 0.1515 (6) | 0.0125 (16) | |
O2 | 0.5885 (4) | 1.000000 | 0.3205 (6) | 0.0149 (17) | |
O3 | 0.5590 (3) | 0.7894 (9) | 0.7750 (5) | 0.0225 (14) | |
O4 | 0.3530 (3) | 0.2908 (9) | −0.2176 (4) | 0.0166 (12) | |
O5 | 0.3909 (4) | 0.500000 | −0.0276 (6) | 0.0192 (19) | |
O6 | 0.5410 (4) | 1.000000 | 0.5942 (6) | 0.0207 (19) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.0125 (2) | 0.0185 (3) | 0.0151 (2) | 0.000 | 0.00399 (16) | 0.000 |
Se1 | 0.0094 (5) | 0.0161 (6) | 0.0105 (5) | 0.000 | 0.0038 (4) | 0.000 |
Se2 | 0.0096 (5) | 0.0146 (6) | 0.0114 (5) | 0.000 | 0.0040 (4) | 0.000 |
Br1 | 0.0142 (6) | 0.0302 (8) | 0.0153 (5) | 0.000 | 0.0028 (4) | 0.000 |
Br2 | 0.0268 (7) | 0.0278 (8) | 0.0256 (6) | 0.000 | 0.0104 (5) | 0.000 |
Br3 | 0.0430 (12) | 0.0244 (11) | 0.0296 (10) | 0.000 | 0.0146 (9) | 0.000 |
Br4 | 0.0182 (7) | 0.0501 (10) | 0.0376 (8) | 0.000 | 0.0172 (6) | 0.000 |
Cu1 | 0.0128 (7) | 0.0249 (9) | 0.0091 (6) | 0.000 | 0.0045 (5) | 0.000 |
Cu2 | 0.0128 (5) | 0.0149 (6) | 0.0170 (5) | −0.0018 (4) | 0.0057 (4) | −0.0049 (4) |
Cu3 | 0.0133 (10) | 0.0283 (13) | 0.0080 (9) | 0.000 | 0.0042 (7) | 0.000 |
Cu4 | 0.0121 (7) | 0.0283 (9) | 0.0220 (7) | 0.000 | 0.0080 (6) | 0.000 |
Cu5 | 0.0424 (17) | 0.056 (2) | 0.065 (2) | 0.000 | 0.0344 (15) | 0.000 |
O1 | 0.012 (4) | 0.014 (4) | 0.011 (3) | 0.000 | 0.003 (3) | 0.000 |
O2 | 0.017 (4) | 0.017 (5) | 0.009 (4) | 0.000 | 0.002 (3) | 0.000 |
O3 | 0.021 (3) | 0.017 (3) | 0.033 (3) | 0.000 (3) | 0.013 (3) | 0.015 (3) |
O4 | 0.013 (3) | 0.019 (3) | 0.018 (3) | 0.000 (2) | 0.005 (2) | −0.003 (2) |
O5 | 0.009 (4) | 0.035 (5) | 0.013 (4) | 0.000 | 0.002 (3) | 0.000 |
O6 | 0.017 (4) | 0.041 (6) | 0.009 (4) | 0.000 | 0.010 (3) | 0.000 |
Pb1—O2 | 2.358 (8) | Br2—Cu1x | 3.1725 (17) |
Pb1—O4i | 2.417 (5) | Br2—Br2xi | 4.420 (3) |
Pb1—O4ii | 2.417 (5) | Br3—Cu3x | 3.1128 (17) |
Pb1—Br1 | 3.094 (2) | Br3—Cu3 | 3.1128 (17) |
Pb1—Br4iii | 3.2101 (19) | Br3—Cu2vii | 3.1142 (17) |
Pb1—Cu2iv | 3.3874 (18) | Br3—Cu2xii | 3.1142 (17) |
Pb1—Cu2 | 3.3874 (18) | Br3—Cu2x | 3.1142 (17) |
Pb1—Br1v | 3.5015 (16) | Br3—Cu2i | 3.1142 (17) |
Pb1—Br1vi | 3.5015 (16) | Br4—Cu4 | 2.342 (2) |
Pb1—Cu1 | 3.618 (2) | Br4—Br4xiii | 4.394 (3) |
Pb1—Br2vi | 3.671 (2) | Br4—Br4xiv | 4.394 (3) |
Pb1—Br2 | 4.3371 (18) | Cu1—O2 | 1.915 (7) |
Se1—O5 | 1.692 (7) | Cu1—O6 | 1.975 (7) |
Se1—O4vii | 1.697 (5) | Cu1—O6xv | 2.008 (8) |
Se1—O4 | 1.697 (5) | Cu2—O1 | 1.891 (4) |
Se1—Br1viii | 3.452 (2) | Cu2—O2 | 1.926 (4) |
Se2—O3 | 1.671 (5) | Cu2—O4i | 1.979 (5) |
Se2—O3iv | 1.671 (5) | Cu2—O3xvi | 2.015 (5) |
Se2—O6 | 1.718 (7) | Cu2—Cu2iv | 3.035 (3) |
Se2—Br1 | 3.355 (2) | Cu2—Cu4 | 3.0369 (19) |
Br1—Cu1 | 2.447 (2) | Cu3—O1 | 1.896 (7) |
Br1—Br2 | 3.7367 (17) | Cu3—O1i | 1.896 (7) |
Br1—Br2ix | 3.7368 (17) | Cu3—O5i | 1.987 (7) |
Br1—Br2vi | 3.827 (3) | Cu3—O5 | 1.987 (7) |
Br1—Br1v | 4.261 (2) | Cu3—Cu4i | 2.9701 (18) |
Br1—Br1vi | 4.261 (2) | Cu3—Cu4 | 2.9702 (18) |
Br2—Cu5 | 2.2099 (16) | Cu4—O1 | 1.907 (7) |
Br2—Cu2 | 3.0960 (19) | Cu4—O5 | 2.063 (7) |
Br2—Cu2vii | 3.0960 (19) | Cu4—O3xvi | 2.102 (6) |
Br2—Cu1 | 3.1725 (17) | Cu4—O3xi | 2.102 (6) |
O2—Pb1—O4i | 68.54 (16) | Cu2—Br2—Pb1 | 50.94 (3) |
O2—Pb1—O4ii | 68.54 (16) | Cu2vii—Br2—Pb1 | 96.29 (5) |
O4i—Pb1—O4ii | 97.0 (3) | Cu1—Br2—Pb1 | 54.99 (4) |
O2—Pb1—Br1 | 70.46 (17) | Cu1x—Br2—Pb1 | 146.58 (4) |
O4i—Pb1—Br1 | 113.48 (13) | Pb1vi—Br2—Pb1 | 77.71 (4) |
O4ii—Pb1—Br1 | 113.48 (13) | Br1x—Br2—Pb1 | 118.68 (5) |
O2—Pb1—Br4iii | 126.44 (17) | Br1—Br2—Pb1 | 44.29 (3) |
O4i—Pb1—Br4iii | 76.87 (13) | Br1vi—Br2—Pb1 | 50.32 (2) |
O4ii—Pb1—Br4iii | 76.87 (13) | Pb1x—Br2—Pb1 | 91.73 (5) |
Br1—Pb1—Br4iii | 163.10 (4) | Cu5—Br2—Br2xi | 0.001 (1) |
O2—Pb1—Cu2iv | 33.47 (10) | Cu2—Br2—Br2xi | 102.76 (5) |
O4i—Pb1—Cu2iv | 81.52 (13) | Cu2vii—Br2—Br2xi | 102.77 (5) |
O4ii—Pb1—Cu2iv | 35.08 (12) | Cu1—Br2—Br2xi | 78.88 (3) |
Br1—Pb1—Cu2iv | 91.38 (3) | Cu1x—Br2—Br2xi | 78.88 (3) |
Br4iii—Pb1—Cu2iv | 103.70 (4) | Pb1vi—Br2—Br2xi | 118.72 (6) |
O2—Pb1—Cu2 | 33.47 (10) | Br1x—Br2—Br2xi | 105.43 (4) |
O4i—Pb1—Cu2 | 35.08 (12) | Br1—Br2—Br2xi | 105.43 (4) |
O4ii—Pb1—Cu2 | 81.52 (13) | Br1vi—Br2—Br2xi | 167.40 (5) |
Br1—Pb1—Cu2 | 91.38 (3) | Pb1x—Br2—Br2xi | 133.14 (2) |
Br4iii—Pb1—Cu2 | 103.70 (4) | Pb1—Br2—Br2xi | 133.14 (2) |
Cu2iv—Pb1—Cu2 | 53.23 (5) | Cu3x—Br3—Cu3 | 180.0 |
O2—Pb1—Br1v | 110.13 (6) | Cu3x—Br3—Cu2vii | 119.16 (3) |
O4i—Pb1—Br1v | 163.45 (13) | Cu3—Br3—Cu2vii | 60.84 (3) |
O4ii—Pb1—Br1v | 68.11 (13) | Cu3x—Br3—Cu2xii | 60.84 (3) |
Br1—Pb1—Br1v | 80.23 (3) | Cu3—Br3—Cu2xii | 119.16 (3) |
Br4iii—Pb1—Br1v | 92.21 (3) | Cu2vii—Br3—Cu2xii | 180.00 (2) |
Cu2iv—Pb1—Br1v | 89.20 (4) | Cu3x—Br3—Cu2x | 60.84 (3) |
Cu2—Pb1—Br1v | 141.49 (3) | Cu3—Br3—Cu2x | 119.16 (3) |
O2—Pb1—Br1vi | 110.13 (6) | Cu2vii—Br3—Cu2x | 58.32 (5) |
O4i—Pb1—Br1vi | 68.11 (13) | Cu2xii—Br3—Cu2x | 121.68 (5) |
O4ii—Pb1—Br1vi | 163.45 (13) | Cu3x—Br3—Cu2i | 119.16 (3) |
Br1—Pb1—Br1vi | 80.23 (3) | Cu3—Br3—Cu2i | 60.84 (3) |
Br4iii—Pb1—Br1vi | 92.21 (3) | Cu2vii—Br3—Cu2i | 121.68 (5) |
Cu2iv—Pb1—Br1vi | 141.49 (3) | Cu2xii—Br3—Cu2i | 58.32 (5) |
Cu2—Pb1—Br1vi | 89.20 (4) | Cu2x—Br3—Cu2i | 180.0 |
Br1v—Pb1—Br1vi | 125.49 (5) | Cu4—Br4—Pb1xviii | 127.38 (6) |
O2—Pb1—Cu1 | 28.60 (17) | Cu4—Br4—Br4xiii | 91.27 (5) |
O4i—Pb1—Cu1 | 86.75 (12) | Pb1xviii—Br4—Br4xiii | 123.17 (4) |
O4ii—Pb1—Cu1 | 86.75 (12) | Cu4—Br4—Br4xiv | 91.27 (5) |
Br1—Pb1—Cu1 | 41.86 (3) | Pb1xviii—Br4—Br4xiv | 123.17 (4) |
Br4iii—Pb1—Cu1 | 155.04 (3) | Br4xiii—Br4—Br4xiv | 90.21 (7) |
Cu2iv—Pb1—Cu1 | 54.66 (4) | O2—Cu1—O6 | 173.5 (3) |
Cu2—Pb1—Cu1 | 54.66 (4) | O2—Cu1—O6xv | 100.3 (3) |
Br1v—Pb1—Cu1 | 99.06 (3) | O6—Cu1—O6xv | 73.3 (3) |
Br1vi—Pb1—Cu1 | 99.06 (3) | O2—Cu1—Br1 | 93.6 (2) |
O2—Pb1—Br2vi | 138.76 (17) | O6—Cu1—Br1 | 92.9 (2) |
O4i—Pb1—Br2vi | 129.75 (12) | O6xv—Cu1—Br1 | 166.1 (2) |
O4ii—Pb1—Br2vi | 129.75 (12) | O2—Cu1—Br2ix | 82.54 (5) |
Br1—Pb1—Br2vi | 68.30 (4) | O6—Cu1—Br2ix | 98.34 (4) |
Br4iii—Pb1—Br2vi | 94.80 (5) | O6xv—Cu1—Br2ix | 99.43 (4) |
Cu2iv—Pb1—Br2vi | 147.06 (3) | Br1—Cu1—Br2ix | 82.27 (3) |
Cu2—Pb1—Br2vi | 147.06 (3) | O2—Cu1—Br2 | 82.54 (5) |
Br1v—Pb1—Br2vi | 62.75 (2) | O6—Cu1—Br2 | 98.34 (4) |
Br1vi—Pb1—Br2vi | 62.75 (2) | O6xv—Cu1—Br2 | 99.43 (4) |
Cu1—Pb1—Br2vi | 110.16 (5) | Br1—Cu1—Br2 | 82.27 (3) |
O2—Pb1—Br2 | 53.33 (8) | Br2ix—Cu1—Br2 | 157.73 (7) |
O4i—Pb1—Br2 | 56.08 (13) | O2—Cu1—Pb1 | 36.1 (2) |
O4ii—Pb1—Br2 | 121.12 (13) | O6—Cu1—Pb1 | 150.4 (2) |
Br1—Pb1—Br2 | 57.50 (2) | O6xv—Cu1—Pb1 | 136.4 (2) |
Br4iii—Pb1—Br2 | 130.01 (2) | Br1—Cu1—Pb1 | 57.53 (5) |
Cu2iv—Pb1—Br2 | 86.48 (4) | Br2ix—Cu1—Pb1 | 79.10 (3) |
Cu2—Pb1—Br2 | 45.21 (3) | Br2—Cu1—Pb1 | 79.10 (3) |
Br1v—Pb1—Br2 | 137.33 (4) | O1—Cu2—O2 | 172.9 (3) |
Br1vi—Pb1—Br2 | 57.27 (4) | O1—Cu2—O4i | 95.1 (3) |
Cu1—Pb1—Br2 | 45.91 (2) | O2—Cu2—O4i | 87.0 (3) |
Br2vi—Pb1—Br2 | 102.29 (4) | O1—Cu2—O3xvi | 80.7 (3) |
O5—Se1—O4vii | 101.4 (2) | O2—Cu2—O3xvi | 97.4 (3) |
O5—Se1—O4 | 101.4 (2) | O4i—Cu2—O3xvi | 175.2 (2) |
O4vii—Se1—O4 | 100.2 (4) | O1—Cu2—Cu2iv | 147.53 (17) |
O5—Se1—Br1viii | 174.3 (3) | O2—Cu2—Cu2iv | 38.00 (16) |
O4vii—Se1—Br1viii | 75.15 (17) | O4i—Cu2—Cu2iv | 98.50 (16) |
O4—Se1—Br1viii | 75.15 (17) | O3xvi—Cu2—Cu2iv | 84.12 (17) |
O3—Se2—O3iv | 103.4 (4) | O1—Cu2—Cu4 | 37.1 (2) |
O3—Se2—O6 | 98.5 (2) | O2—Cu2—Cu4 | 140.6 (2) |
O3iv—Se2—O6 | 98.5 (2) | O4i—Cu2—Cu4 | 132.12 (16) |
O3—Se2—Br1 | 128.1 (2) | O3xvi—Cu2—Cu4 | 43.59 (16) |
O3iv—Se2—Br1 | 128.1 (2) | Cu2iv—Cu2—Cu4 | 121.69 (3) |
O6—Se2—Br1 | 70.6 (2) | O1—Cu2—Br2 | 88.82 (19) |
Cu1—Br1—Pb1 | 80.61 (5) | O2—Cu2—Br2 | 84.53 (17) |
Cu1—Br1—Se2 | 67.98 (6) | O4i—Cu2—Br2 | 87.44 (16) |
Pb1—Br1—Se2 | 148.59 (4) | O3xvi—Cu2—Br2 | 94.65 (18) |
Cu1—Br1—Se1xvii | 141.75 (6) | Cu2iv—Cu2—Br2 | 121.02 (3) |
Pb1—Br1—Se1xvii | 137.64 (5) | Cu4—Cu2—Br2 | 92.21 (5) |
Se2—Br1—Se1xvii | 73.77 (5) | O1—Cu2—Br3ix | 90.06 (19) |
Cu1—Br1—Pb1v | 116.57 (2) | O2—Cu2—Br3ix | 96.72 (17) |
Pb1—Br1—Pb1v | 99.77 (3) | O4i—Cu2—Br3ix | 89.57 (15) |
Se2—Br1—Pb1v | 94.41 (3) | O3xvi—Cu2—Br3ix | 88.22 (18) |
Se1xvii—Br1—Pb1v | 65.67 (2) | Cu2iv—Cu2—Br3ix | 60.84 (3) |
Cu1—Br1—Pb1vi | 116.57 (2) | Cu4—Cu2—Br3ix | 88.76 (4) |
Pb1—Br1—Pb1vi | 99.77 (3) | Br2—Cu2—Br3ix | 176.71 (4) |
Se2—Br1—Pb1vi | 94.41 (3) | O1—Cu2—Pb1 | 139.1 (2) |
Se1xvii—Br1—Pb1vi | 65.67 (2) | O2—Cu2—Pb1 | 42.5 (2) |
Pb1v—Br1—Pb1vi | 125.49 (5) | O4i—Cu2—Pb1 | 44.59 (15) |
Cu1—Br1—Br2 | 57.28 (3) | O3xvi—Cu2—Pb1 | 139.89 (16) |
Pb1—Br1—Br2 | 78.21 (3) | Cu2iv—Cu2—Pb1 | 63.39 (2) |
Se2—Br1—Br2 | 84.63 (4) | Cu4—Cu2—Pb1 | 174.84 (4) |
Se1xvii—Br1—Br2 | 119.83 (3) | Br2—Cu2—Pb1 | 83.84 (4) |
Pb1v—Br1—Br2 | 173.66 (3) | Br3ix—Cu2—Pb1 | 95.00 (3) |
Pb1vi—Br1—Br2 | 60.85 (4) | O1—Cu3—O1i | 180.0 |
Cu1—Br1—Br2ix | 57.27 (3) | O1—Cu3—O5i | 97.4 (3) |
Pb1—Br1—Br2ix | 78.21 (3) | O1i—Cu3—O5i | 82.6 (3) |
Se2—Br1—Br2ix | 84.63 (4) | O1—Cu3—O5 | 82.6 (3) |
Se1xvii—Br1—Br2ix | 119.83 (3) | O1i—Cu3—O5 | 97.4 (3) |
Pb1v—Br1—Br2ix | 60.85 (4) | O5i—Cu3—O5 | 180.0 |
Pb1vi—Br1—Br2ix | 173.66 (3) | O1—Cu3—Cu4i | 141.2 (2) |
Br2—Br1—Br2ix | 112.82 (5) | O1i—Cu3—Cu4i | 38.8 (2) |
Cu1—Br1—Br2vi | 143.63 (6) | O5i—Cu3—Cu4i | 43.8 (2) |
Pb1—Br1—Br2vi | 63.02 (3) | O5—Cu3—Cu4i | 136.2 (2) |
Se2—Br1—Br2vi | 148.39 (5) | O1—Cu3—Cu4 | 38.8 (2) |
Se1xvii—Br1—Br2vi | 74.62 (5) | O1i—Cu3—Cu4 | 141.2 (2) |
Pb1v—Br1—Br2vi | 72.41 (3) | O5i—Cu3—Cu4 | 136.2 (2) |
Pb1vi—Br1—Br2vi | 72.41 (3) | O5—Cu3—Cu4 | 43.8 (2) |
Br2—Br1—Br2vi | 111.44 (3) | Cu4i—Cu3—Cu4 | 180.0 |
Br2ix—Br1—Br2vi | 111.44 (3) | O1—Cu3—Br3 | 90.0 |
Cu1—Br1—Br1v | 104.42 (5) | O1i—Cu3—Br3 | 90.0 |
Pb1—Br1—Br1v | 54.08 (3) | O5i—Cu3—Br3 | 90.0 |
Se2—Br1—Br1v | 133.07 (3) | O5—Cu3—Br3 | 90.0 |
Se1xvii—Br1—Br1v | 101.42 (4) | Cu4i—Cu3—Br3 | 90.0 |
Pb1v—Br1—Br1v | 45.69 (3) | Cu4—Cu3—Br3 | 90.0 |
Pb1vi—Br1—Br1v | 126.89 (5) | O1—Cu3—Br3ix | 90.0 |
Br2—Br1—Br1v | 131.94 (5) | O1i—Cu3—Br3ix | 90.0 |
Br2ix—Br1—Br1v | 56.72 (4) | O5i—Cu3—Br3ix | 90.0 |
Br2vi—Br1—Br1v | 54.71 (3) | O5—Cu3—Br3ix | 90.0 |
Cu1—Br1—Br1vi | 104.42 (5) | Cu4i—Cu3—Br3ix | 90.0 |
Pb1—Br1—Br1vi | 54.08 (3) | Cu4—Cu3—Br3ix | 90.0 |
Se2—Br1—Br1vi | 133.07 (3) | Br3—Cu3—Br3ix | 180.0 |
Se1xvii—Br1—Br1vi | 101.42 (5) | O1—Cu4—O5 | 80.4 (3) |
Pb1v—Br1—Br1vi | 126.89 (5) | O1—Cu4—O3xvi | 78.08 (18) |
Pb1vi—Br1—Br1vi | 45.69 (3) | O5—Cu4—O3xvi | 115.53 (18) |
Br2—Br1—Br1vi | 56.72 (4) | O1—Cu4—O3xi | 78.08 (18) |
Br2ix—Br1—Br1vi | 131.94 (5) | O5—Cu4—O3xi | 115.53 (18) |
Br2vi—Br1—Br1vi | 54.71 (3) | O3xvi—Cu4—O3xi | 118.0 (3) |
Br1v—Br1—Br1vi | 93.86 (6) | O1—Cu4—Br4 | 178.7 (2) |
Cu5—Br2—Cu2 | 102.76 (5) | O5—Cu4—Br4 | 100.9 (2) |
Cu5—Br2—Cu2vii | 102.76 (5) | O3xvi—Cu4—Br4 | 101.28 (15) |
Cu2—Br2—Cu2vii | 62.03 (6) | O3xi—Cu4—Br4 | 101.28 (15) |
Cu5—Br2—Cu1 | 78.88 (3) | O1—Cu4—Cu3 | 38.5 (2) |
Cu2—Br2—Cu1 | 61.86 (4) | O5—Cu4—Cu3 | 41.9 (2) |
Cu2vii—Br2—Cu1 | 122.65 (5) | O3xvi—Cu4—Cu3 | 97.62 (16) |
Cu5—Br2—Cu1x | 78.88 (3) | O3xi—Cu4—Cu3 | 97.62 (16) |
Cu2—Br2—Cu1x | 122.64 (5) | Br4—Cu4—Cu3 | 142.79 (7) |
Cu2vii—Br2—Cu1x | 61.85 (4) | O1—Cu4—Cu2 | 36.72 (10) |
Cu1—Br2—Cu1x | 157.72 (7) | O5—Cu4—Cu2 | 98.49 (18) |
Cu5—Br2—Pb1vi | 118.72 (6) | O3xvi—Cu4—Cu2 | 41.37 (15) |
Cu2—Br2—Pb1vi | 128.32 (4) | O3xi—Cu4—Cu2 | 98.62 (16) |
Cu2vii—Br2—Pb1vi | 128.32 (4) | Br4—Cu4—Cu2 | 142.63 (5) |
Cu1—Br2—Pb1vi | 95.85 (3) | Cu3—Cu4—Cu2 | 63.31 (4) |
Cu1x—Br2—Pb1vi | 95.85 (3) | O1—Cu4—Cu2vii | 36.72 (10) |
Cu5—Br2—Br1x | 105.43 (4) | O5—Cu4—Cu2vii | 98.49 (18) |
Cu2—Br2—Br1x | 140.54 (4) | O3xvi—Cu4—Cu2vii | 98.62 (16) |
Cu2vii—Br2—Br1x | 85.04 (4) | O3xi—Cu4—Cu2vii | 41.37 (15) |
Cu1—Br2—Br1x | 150.90 (5) | Br4—Cu4—Cu2vii | 142.63 (5) |
Cu1x—Br2—Br1x | 40.46 (4) | Cu3—Cu4—Cu2vii | 63.31 (4) |
Pb1vi—Br2—Br1x | 56.41 (3) | Cu2—Cu4—Cu2vii | 63.38 (6) |
Cu5—Br2—Br1 | 105.43 (4) | Br2xi—Cu5—Br2 | 180.0 |
Cu2—Br2—Br1 | 85.05 (4) | Cu2—O1—Cu2vii | 115.1 (3) |
Cu2vii—Br2—Br1 | 140.54 (4) | Cu2—O1—Cu3 | 112.7 (2) |
Cu1—Br2—Br1 | 40.46 (4) | Cu2vii—O1—Cu3 | 112.7 (2) |
Cu1x—Br2—Br1 | 150.90 (5) | Cu2—O1—Cu4 | 106.2 (3) |
Pb1vi—Br2—Br1 | 56.41 (3) | Cu2vii—O1—Cu4 | 106.2 (3) |
Br1x—Br2—Br1 | 112.82 (5) | Cu3—O1—Cu4 | 102.7 (3) |
Cu5—Br2—Br1vi | 167.40 (5) | Cu1—O2—Cu2iv | 114.0 (3) |
Cu2—Br2—Br1vi | 87.99 (4) | Cu1—O2—Cu2 | 114.0 (3) |
Cu2vii—Br2—Br1vi | 87.99 (4) | Cu2iv—O2—Cu2 | 104.0 (3) |
Cu1—Br2—Br1vi | 100.98 (3) | Cu1—O2—Pb1 | 115.3 (3) |
Cu1x—Br2—Br1vi | 100.98 (3) | Cu2iv—O2—Pb1 | 104.1 (3) |
Pb1vi—Br2—Br1vi | 48.68 (4) | Cu2—O2—Pb1 | 104.1 (3) |
Br1x—Br2—Br1vi | 68.56 (3) | Se2—O3—Cu2xvi | 127.8 (3) |
Br1—Br2—Br1vi | 68.56 (3) | Se2—O3—Cu4xi | 136.8 (3) |
Cu5—Br2—Pb1x | 133.14 (2) | Cu2xvi—O3—Cu4xi | 95.0 (2) |
Cu2—Br2—Pb1x | 96.29 (5) | Se1—O4—Cu2i | 127.2 (3) |
Cu2vii—Br2—Pb1x | 50.94 (3) | Se1—O4—Pb1i | 132.0 (3) |
Cu1—Br2—Pb1x | 146.58 (4) | Cu2i—O4—Pb1i | 100.3 (2) |
Cu1x—Br2—Pb1x | 54.99 (4) | Se1—O5—Cu3 | 124.2 (4) |
Pb1vi—Br2—Pb1x | 77.71 (4) | Se1—O5—Cu4 | 141.5 (4) |
Br1x—Br2—Pb1x | 44.29 (3) | Cu3—O5—Cu4 | 94.3 (3) |
Br1—Br2—Pb1x | 118.68 (5) | Se2—O6—Cu1 | 128.6 (4) |
Br1vi—Br2—Pb1x | 50.32 (2) | Se2—O6—Cu1xv | 124.7 (4) |
Cu5—Br2—Pb1 | 133.14 (2) | Cu1—O6—Cu1xv | 106.7 (3) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) −x+1, y+1, −z; (iii) x+1/2, y+1/2, z; (iv) x, −y+2, z; (v) −x+3/2, −y+5/2, −z+1; (vi) −x+3/2, −y+3/2, −z+1; (vii) x, −y+1, z; (viii) x−1/2, y−1/2, z−1; (ix) x, y+1, z; (x) x, y−1, z; (xi) −x+1, −y+1, −z+1; (xii) −x+1, y−1, −z; (xiii) −x+1/2, −y+1/2, −z; (xiv) −x+1/2, −y+3/2, −z; (xv) −x+1, −y+2, −z+1; (xvi) −x+1, y, −z+1; (xvii) x+1/2, y+1/2, z+1; (xviii) x−1/2, y−1/2, z. |
Br1.17Cu1.92O3Pb0.25Se0.75 | F(000) = 2671 |
Mr = 375.23 | Dx = 4.866 Mg m−3 |
Monoclinic, C2/m | Mo Kα radiation, λ = 0.71073 Å |
a = 19.146 (5) Å | Cell parameters from 2300 reflections |
b = 6.2686 (18) Å | θ = 2.2–28.0° |
c = 17.296 (5) Å | µ = 30.56 mm−1 |
β = 99.270 (7)° | T = 296 K |
V = 2048.7 (10) Å3 | Prism |
Z = 16 |
Bruker Apex 2 Duo diffractometer | θmax = 28.0°, θmin = 2.2° |
8910 measured reflections | h = −25→25 |
2683 independent reflections | k = −5→8 |
2143 reflections with I > 2σ(I) | l = −22→22 |
Rint = 0.046 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.026P)2 + 0.7924P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.028 | (Δ/σ)max = 0.001 |
wR(F2) = 0.063 | Δρmax = 3.11 e Å−3 |
S = 1.06 | Δρmin = −1.75 e Å−3 |
2683 reflections | Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
174 parameters | Extinction coefficient: 0.000032 (16) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. Refined as a 2-component inversion twin. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Pb1 | −0.00157 (2) | 0.0000 | 0.20810 (2) | 0.01048 (10) | |
Se1 | 0.03402 (5) | −0.5000 | 0.33955 (5) | 0.0081 (2) | |
Se2 | −0.22614 (5) | −0.5000 | −0.29428 (6) | 0.0086 (2) | |
Se3 | −0.10201 (5) | 0.0000 | −0.00694 (6) | 0.0089 (2) | |
Br1 | −0.19101 (5) | −0.5000 | 0.52006 (6) | 0.0169 (2) | |
Br2 | −0.35666 (5) | −0.5000 | 0.33619 (6) | 0.0156 (2) | |
Br3 | −0.05028 (5) | −0.5000 | −0.13761 (7) | 0.0209 (2) | |
Br4 | −0.17479 (6) | −0.5000 | 0.16059 (6) | 0.0193 (2) | |
Cu1 | −0.23210 (6) | −0.5000 | 0.34696 (7) | 0.0114 (3) | |
Cu2 | −0.08036 (6) | −0.5000 | 0.46662 (7) | 0.0192 (3) | |
Cu3 | −0.32076 (6) | −0.5000 | −0.14988 (7) | 0.0113 (3) | |
Cu4 | −0.11735 (4) | −0.24737 (10) | 0.30549 (5) | 0.01011 (18) | |
Cu5 | −0.16051 (6) | −0.5000 | −0.09476 (7) | 0.0151 (3) | |
Cu6 | −0.2500 | −0.2500 | 0.0000 | 0.0124 (3) | |
Br5A | −0.08625 (12) | 0.0000 | 0.45461 (12) | 0.0124 (4) | 0.6 |
Br5B | −0.0651 (7) | 0.0000 | 0.4759 (8) | 0.011 (3)* | 0.1 |
Cu7 | −0.17933 (16) | −0.0851 (4) | 0.52093 (17) | 0.0333 (7) | 0.35 |
O1 | −0.1102 (3) | 0.0000 | 0.2433 (4) | 0.0074 (13) | |
O2 | −0.2501 (3) | −0.5000 | −0.0598 (4) | 0.0106 (14) | |
O3 | −0.1291 (3) | −0.5000 | 0.3633 (4) | 0.0087 (13) | |
O4 | −0.2322 (3) | −0.5000 | −0.1981 (4) | 0.0134 (14) | |
O5 | 0.0156 (3) | −0.5000 | 0.4342 (4) | 0.0135 (14) | |
O6 | −0.0159 (2) | −0.2893 (6) | 0.3014 (3) | 0.0114 (10) | |
O7 | −0.0970 (3) | 0.0000 | 0.0916 (4) | 0.0122 (14) | |
O8 | −0.2827 (2) | −0.2978 (6) | −0.3270 (3) | 0.0130 (10) | |
O9 | −0.1565 (2) | −0.2090 (7) | −0.0333 (3) | 0.0159 (11) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.0100 (2) | 0.01105 (14) | 0.0112 (2) | 0.000 | 0.00444 (15) | 0.000 |
Se1 | 0.0069 (5) | 0.0103 (3) | 0.0069 (5) | 0.000 | 0.0008 (4) | 0.000 |
Se2 | 0.0087 (5) | 0.0068 (3) | 0.0111 (5) | 0.000 | 0.0042 (4) | 0.000 |
Se3 | 0.0077 (5) | 0.0099 (3) | 0.0098 (5) | 0.000 | 0.0033 (4) | 0.000 |
Br1 | 0.0099 (5) | 0.0301 (5) | 0.0107 (5) | 0.000 | 0.0019 (4) | 0.000 |
Br2 | 0.0080 (5) | 0.0165 (4) | 0.0210 (6) | 0.000 | −0.0013 (4) | 0.000 |
Br3 | 0.0142 (6) | 0.0260 (5) | 0.0256 (6) | 0.000 | 0.0124 (5) | 0.000 |
Br4 | 0.0254 (6) | 0.0157 (4) | 0.0158 (6) | 0.000 | 0.0006 (5) | 0.000 |
Cu1 | 0.0075 (6) | 0.0063 (4) | 0.0202 (7) | 0.000 | 0.0010 (5) | 0.000 |
Cu2 | 0.0061 (7) | 0.0452 (7) | 0.0058 (7) | 0.000 | 0.0002 (5) | 0.000 |
Cu3 | 0.0091 (6) | 0.0159 (5) | 0.0092 (6) | 0.000 | 0.0025 (5) | 0.000 |
Cu4 | 0.0093 (4) | 0.0084 (3) | 0.0132 (5) | 0.0004 (3) | 0.0035 (3) | 0.0031 (3) |
Cu5 | 0.0109 (7) | 0.0199 (5) | 0.0163 (7) | 0.000 | 0.0072 (5) | 0.000 |
Cu6 | 0.0108 (7) | 0.0116 (5) | 0.0157 (7) | −0.0028 (4) | 0.0051 (5) | −0.0051 (5) |
Br5A | 0.0164 (12) | 0.0187 (8) | 0.0010 (10) | 0.000 | −0.0012 (8) | 0.000 |
Cu7 | 0.0440 (19) | 0.0357 (13) | 0.0219 (16) | −0.0125 (13) | 0.0103 (14) | −0.0033 (12) |
O1 | 0.006 (3) | 0.009 (2) | 0.009 (4) | 0.000 | 0.005 (3) | 0.000 |
O2 | 0.010 (4) | 0.013 (3) | 0.010 (4) | 0.000 | 0.004 (3) | 0.000 |
O3 | 0.009 (3) | 0.012 (3) | 0.005 (3) | 0.000 | 0.000 (3) | 0.000 |
O4 | 0.009 (4) | 0.025 (3) | 0.006 (4) | 0.000 | 0.004 (3) | 0.000 |
O5 | 0.010 (4) | 0.023 (3) | 0.007 (4) | 0.000 | 0.000 (3) | 0.000 |
O6 | 0.009 (2) | 0.0127 (18) | 0.012 (3) | 0.0009 (17) | 0.001 (2) | 0.0025 (19) |
O7 | 0.004 (3) | 0.020 (3) | 0.013 (4) | 0.000 | 0.003 (3) | 0.000 |
O8 | 0.010 (3) | 0.0056 (17) | 0.025 (3) | 0.0008 (17) | 0.007 (2) | 0.0023 (19) |
O9 | 0.013 (3) | 0.0141 (19) | 0.022 (3) | −0.0025 (18) | 0.009 (2) | −0.004 (2) |
Pb1—O1 | 2.259 (6) | Cu3—Cu4iii | 3.1663 (14) |
Pb1—O6 | 2.472 (4) | Cu3—Se3iii | 3.2917 (16) |
Pb1—O6i | 2.472 (4) | Cu4—O1 | 1.905 (4) |
Pb1—O7 | 2.493 (6) | Cu4—O3 | 1.906 (4) |
Pb1—Br2ii | 3.2597 (12) | Cu4—O6 | 1.973 (4) |
Pb1—Cu4 | 3.3702 (10) | Cu4—O8iii | 2.027 (4) |
Pb1—Cu4i | 3.3702 (10) | Cu4—Br5A | 2.986 (2) |
Pb1—Cu3iii | 3.3885 (15) | Cu4—Cu4i | 3.1014 (16) |
Pb1—Br3iv | 3.5617 (10) | Cu4—Cu3iii | 3.1662 (14) |
Pb1—Br3v | 3.5617 (10) | Cu4—Cu4vi | 3.1672 (16) |
Se1—O6vi | 1.700 (4) | Cu5—O2 | 1.908 (6) |
Se1—O6 | 1.700 (4) | Cu5—O4 | 2.070 (7) |
Se1—O5 | 1.729 (7) | Cu5—O9 | 2.106 (4) |
Se1—O3 | 3.215 (6) | Cu5—O9vi | 2.106 (4) |
Se1—Cu4 | 3.2716 (13) | Cu5—Cu6ix | 2.9971 (11) |
Se1—Cu4vi | 3.2716 (13) | Cu5—Cu6 | 2.9971 (11) |
Se1—Cu2vii | 3.3269 (18) | Cu5—Se3xx | 3.5830 (11) |
Se1—Cu2 | 3.3431 (17) | Cu5—Br4viii | 4.4617 (14) |
Se1—Br1vii | 3.5467 (15) | Cu6—O2iii | 1.878 (4) |
Se1—Br3iv | 3.5564 (17) | Cu6—O2 | 1.878 (4) |
Se2—O4 | 1.687 (7) | Cu6—O9iii | 1.983 (5) |
Se2—O8 | 1.704 (4) | Cu6—O9 | 1.983 (5) |
Se2—O8vi | 1.704 (4) | Cu6—Cu5iii | 2.9971 (11) |
Se2—Cu3 | 3.3132 (16) | Cu6—Cu6xi | 3.1343 (9) |
Se2—Cu1viii | 3.3254 (10) | Cu6—Cu6ix | 3.1343 (9) |
Se2—Cu1iii | 3.3254 (10) | Cu6—Cu3iii | 3.1432 (12) |
Se2—Cu4ix | 3.3518 (13) | Cu6—Se3iii | 3.2569 (11) |
Se2—Cu4iii | 3.3518 (13) | Br5A—Br5B | 0.501 (12) |
Se2—Br1x | 3.3852 (17) | Br5A—Cu7 | 2.331 (4) |
Se2—O1iii | 3.389 (6) | Br5A—Cu7i | 2.331 (4) |
Se2—Cu5 | 3.4772 (18) | Br5A—Br5Bxxi | 2.953 (13) |
Se2—Br2iii | 3.6376 (11) | Br5A—Cu4i | 2.986 (2) |
Se3—O9 | 1.691 (4) | Br5A—Cu2xii | 3.1420 (9) |
Se3—O9i | 1.691 (4) | Br5A—O8iii | 3.315 (5) |
Se3—O7 | 1.692 (7) | Br5A—O8xi | 3.315 (5) |
Se3—O2iii | 3.226 (6) | Br5A—Br5Axxi | 3.421 (5) |
Se3—Cu6 | 3.2569 (11) | Br5A—O3xii | 3.546 (3) |
Se3—Cu6xi | 3.2569 (11) | Br5B—Cu7 | 2.495 (14) |
Se3—Cu3iii | 3.2917 (16) | Br5B—Cu7i | 2.495 (14) |
Se3—Cu5xii | 3.5829 (11) | Br5B—Br5Bxxi | 2.50 (3) |
Se3—Cu5 | 3.5830 (11) | Br5B—Br5Axxi | 2.953 (13) |
Br1—Cu2 | 2.4441 (16) | Br5B—Cu2xii | 3.1495 (15) |
Br1—Cu7xiii | 2.526 (3) | Br5B—Cu4i | 3.338 (12) |
Br1—Cu7xiv | 2.526 (3) | Br5B—O5xxi | 3.559 (7) |
Br1—Cu7vi | 2.610 (3) | Br5B—O5vii | 3.559 (7) |
Br1—Cu7 | 2.610 (3) | Br5B—O5xii | 3.618 (8) |
Br1—Cu1 | 2.9706 (18) | Cu7—Cu7i | 1.067 (5) |
Br1—O3 | 3.129 (6) | Cu7—Br2xiv | 2.513 (3) |
Br1—O5vii | 3.323 (7) | Cu7—Br1xiv | 2.526 (3) |
Br1—Se2xv | 3.3852 (17) | Cu7—Cu1xiv | 3.103 (3) |
Br1—Se1vii | 3.5467 (15) | Cu7—Cu7xiv | 3.390 (6) |
Br1—O8xv | 3.631 (5) | Cu7—O8iii | 3.397 (6) |
Br1—O8xvi | 3.631 (5) | Cu7—Br1xii | 3.674 (3) |
Br2—Cu1 | 2.3619 (16) | Cu7—O8xi | 3.774 (6) |
Br2—Cu7xiv | 2.513 (3) | O1—Cu4i | 1.905 (4) |
Br2—Cu7xiii | 2.513 (3) | O1—Cu3iii | 1.915 (6) |
Br2—Pb1xvii | 3.2597 (12) | O1—O6 | 2.641 (6) |
Br2—O8iii | 3.281 (4) | O1—O6i | 2.641 (6) |
Br2—O8ix | 3.281 (4) | O1—O7 | 2.675 (9) |
Br2—O6xvii | 3.515 (4) | O1—O8iii | 2.977 (7) |
Br2—O6xviii | 3.515 (4) | O1—O8xi | 2.977 (7) |
Br2—Se2iii | 3.6376 (11) | O1—O4iii | 2.993 (9) |
Br2—Se2viii | 3.6376 (11) | O1—Se2iii | 3.389 (6) |
Br2—Br5Bxiv | 3.792 (15) | O2—Cu6ix | 1.878 (4) |
Br2—Br5Axiv | 3.945 (2) | O2—O4 | 2.469 (9) |
Br3—Cu5 | 2.3467 (17) | O2—O9vi | 2.546 (6) |
Br3—O9 | 3.450 (5) | O2—O9 | 2.546 (6) |
Br3—O9vi | 3.450 (5) | O2—O7iii | 2.890 (9) |
Br3—O4 | 3.471 (7) | O2—O9ix | 2.905 (7) |
Br3—O6iv | 3.540 (5) | O2—O9iii | 2.905 (7) |
Br3—O6xix | 3.540 (5) | O2—Se3iii | 3.226 (6) |
Br3—Se1iv | 3.5564 (17) | O2—O2iii | 3.756 (7) |
Br3—Pb1iv | 3.5617 (10) | O3—Cu4vi | 1.906 (4) |
Br3—Pb1v | 3.5617 (10) | O3—O8ix | 2.527 (6) |
Br3—O7v | 4.206 (4) | O3—O8iii | 2.527 (6) |
Br3—O7iv | 4.206 (4) | O3—O5 | 2.844 (9) |
Br3—O2 | 4.254 (6) | O3—O6vi | 2.887 (7) |
Br4—Cu4 | 3.0183 (13) | O3—O6 | 2.887 (7) |
Br4—Cu4vi | 3.0183 (13) | O4—O8 | 2.611 (7) |
Br4—Cu3viii | 3.1401 (9) | O4—O8vi | 2.611 (7) |
Br4—Cu3iii | 3.1401 (9) | O4—O1iii | 2.993 (9) |
Br4—Cu6ix | 3.3100 (11) | O4—O9 | 3.495 (7) |
Br4—Cu6 | 3.3100 (11) | O4—O9vi | 3.495 (7) |
Br4—O3 | 3.474 (6) | O4—Cu4ix | 3.526 (6) |
Br4—Cu1 | 3.5684 (18) | O4—Cu4iii | 3.526 (6) |
Br4—O1 | 3.582 (3) | O5—Cu2vii | 1.947 (6) |
Br4—O1xx | 3.582 (3) | O5—O5vii | 2.444 (13) |
Br4—O8iii | 3.631 (5) | O5—O6vi | 2.634 (7) |
Br4—O8ix | 3.631 (5) | O5—O6 | 2.634 (7) |
Cu1—O8ix | 1.928 (4) | O5—Br1vii | 3.323 (7) |
Cu1—O8iii | 1.928 (4) | O5—Cu4vi | 3.482 (6) |
Cu1—O3 | 1.947 (6) | O5—Br5Bxxi | 3.559 (7) |
Cu1—Cu4vi | 2.8908 (13) | O5—Br5Bvii | 3.559 (7) |
Cu1—Cu4 | 2.8908 (13) | O6—O6vi | 2.641 (8) |
Cu1—Cu7xiv | 3.103 (3) | O6—Cu4vi | 3.501 (4) |
Cu1—Cu7xiii | 3.103 (3) | O6—Br2ii | 3.515 (4) |
Cu1—Cu2 | 3.2844 (18) | O6—Br3iv | 3.540 (5) |
Cu1—Se2viii | 3.3254 (10) | O6—O6i | 3.627 (8) |
Cu1—Se2iii | 3.3254 (10) | O7—Cu3iii | 2.001 (6) |
Cu2—O3 | 1.878 (6) | O7—O9 | 2.625 (7) |
Cu2—O5vii | 1.947 (6) | O7—O9i | 2.625 (7) |
Cu2—O5 | 2.006 (7) | O7—O2iii | 2.890 (9) |
Cu2—Cu2vii | 3.108 (3) | O7—Cu6xi | 3.471 (6) |
Cu2—Br5A | 3.1420 (9) | O7—Br4xii | 3.746 (4) |
Cu2—Br5Axx | 3.1420 (9) | O7—O4iii | 4.003 (9) |
Cu2—Br5B | 3.1495 (16) | O8—Cu1iii | 1.928 (4) |
Cu2—Br5Bxx | 3.1495 (15) | O8—Cu4iii | 2.027 (4) |
Cu2—Cu4vi | 3.1844 (15) | O8—O3iii | 2.528 (6) |
Cu2—Cu4 | 3.1845 (15) | O8—O8vi | 2.536 (8) |
Cu3—O2 | 1.891 (7) | O8—O1iii | 2.977 (7) |
Cu3—O1iii | 1.915 (6) | O8—Br2iii | 3.281 (4) |
Cu3—O7iii | 2.001 (6) | O8—Br5Aiii | 3.315 (5) |
Cu3—O4 | 2.007 (6) | O8—Cu7iii | 3.397 (6) |
Cu3—Cu5 | 3.0625 (18) | O8—Cu4ix | 3.460 (4) |
Cu3—Br4viii | 3.1401 (9) | O9—O9i | 2.620 (8) |
Cu3—Br4iii | 3.1401 (9) | O9—O2iii | 2.905 (7) |
Cu3—Cu6 | 3.1432 (12) | O9—Cu6xi | 3.485 (4) |
Cu3—Cu6ix | 3.1432 (12) | O9—Cu3iii | 3.520 (5) |
Cu3—Cu4ix | 3.1663 (14) | O9—O9vi | 3.648 (8) |
O1—Pb1—O6 | 67.70 (14) | O2iii—Cu6—Cu3 | 146.37 (18) |
O1—Pb1—O6i | 67.70 (14) | O2—Cu6—Cu3 | 33.63 (18) |
O6—Pb1—O6i | 94.4 (2) | O9iii—Cu6—Cu3 | 83.44 (14) |
O1—Pb1—O7 | 68.3 (2) | O9—Cu6—Cu3 | 96.56 (14) |
O6—Pb1—O7 | 112.56 (13) | Cu5—Cu6—Cu3 | 59.78 (3) |
O6i—Pb1—O7 | 112.56 (13) | Cu5iii—Cu6—Cu3 | 120.22 (3) |
O1—Pb1—Br2ii | 122.46 (16) | Cu6xi—Cu6—Cu3 | 119.906 (14) |
O6—Pb1—Br2ii | 74.22 (10) | Cu6ix—Cu6—Cu3 | 60.094 (14) |
O6i—Pb1—Br2ii | 74.22 (10) | Cu3iii—Cu6—Cu3 | 180.0 |
O7—Pb1—Br2ii | 169.22 (15) | O2iii—Cu6—Se3iii | 107.74 (19) |
O1—Pb1—Cu4 | 32.57 (8) | O2—Cu6—Se3iii | 72.26 (19) |
O6—Pb1—Cu4 | 35.42 (10) | O9iii—Cu6—Se3iii | 25.29 (12) |
O6i—Pb1—Cu4 | 81.96 (10) | O9—Cu6—Se3iii | 154.71 (12) |
O7—Pb1—Cu4 | 87.04 (13) | Cu5—Cu6—Se3iii | 110.23 (3) |
Br2ii—Pb1—Cu4 | 102.51 (3) | Cu5iii—Cu6—Se3iii | 69.76 (3) |
O1—Pb1—Cu4i | 32.57 (8) | Cu6xi—Cu6—Se3iii | 118.762 (12) |
O6—Pb1—Cu4i | 81.96 (10) | Cu6ix—Cu6—Se3iii | 61.238 (12) |
O6i—Pb1—Cu4i | 35.42 (10) | Cu3iii—Cu6—Se3iii | 118.13 (3) |
O7—Pb1—Cu4i | 87.04 (13) | Cu3—Cu6—Se3iii | 61.87 (3) |
Br2ii—Pb1—Cu4i | 102.51 (3) | O2iii—Cu6—Se3 | 72.26 (19) |
Cu4—Pb1—Cu4i | 54.79 (3) | O2—Cu6—Se3 | 107.74 (19) |
O1—Pb1—Cu3iii | 32.47 (16) | O9iii—Cu6—Se3 | 154.71 (12) |
O6—Pb1—Cu3iii | 88.99 (10) | O9—Cu6—Se3 | 25.29 (12) |
O6i—Pb1—Cu3iii | 88.99 (10) | Cu5—Cu6—Se3 | 69.76 (3) |
O7—Pb1—Cu3iii | 35.86 (15) | Cu5iii—Cu6—Se3 | 110.24 (3) |
Br2ii—Pb1—Cu3iii | 154.93 (3) | Cu6xi—Cu6—Se3 | 61.238 (12) |
Cu4—Pb1—Cu3iii | 55.87 (3) | Cu6ix—Cu6—Se3 | 118.762 (12) |
Cu4i—Pb1—Cu3iii | 55.87 (3) | Cu3iii—Cu6—Se3 | 61.87 (3) |
O1—Pb1—Br3iv | 114.31 (5) | Cu3—Cu6—Se3 | 118.13 (3) |
O6—Pb1—Br3iv | 69.16 (10) | Se3iii—Cu6—Se3 | 180.0 |
O6i—Pb1—Br3iv | 159.29 (10) | Br5B—Br5A—Cu7 | 103.3 (18) |
O7—Pb1—Br3iv | 86.09 (7) | Br5B—Br5A—Cu7i | 103.3 (18) |
Br2ii—Pb1—Br3iv | 88.80 (2) | Cu7—Br5A—Cu7i | 26.45 (14) |
Cu4—Pb1—Br3iv | 90.47 (3) | Br5B—Br5A—Br5Bxxi | 23 (2) |
Cu4i—Pb1—Br3iv | 144.89 (2) | Cu7—Br5A—Br5Bxxi | 125.3 (3) |
Cu3iii—Pb1—Br3iv | 102.71 (2) | Cu7i—Br5A—Br5Bxxi | 125.3 (3) |
O1—Pb1—Br3v | 114.31 (5) | Br5B—Br5A—Cu4i | 131.2 (13) |
O6—Pb1—Br3v | 159.30 (10) | Cu7—Br5A—Cu4i | 118.82 (11) |
O6i—Pb1—Br3v | 69.16 (10) | Cu7i—Br5A—Cu4i | 104.15 (9) |
O7—Pb1—Br3v | 86.09 (7) | Br5Bxxi—Br5A—Cu4i | 113.4 (2) |
Br2ii—Pb1—Br3v | 88.80 (2) | Br5B—Br5A—Cu4 | 131.2 (13) |
Cu4—Pb1—Br3v | 144.89 (2) | Cu7—Br5A—Cu4 | 104.15 (10) |
Cu4i—Pb1—Br3v | 90.47 (2) | Cu7i—Br5A—Cu4 | 118.82 (11) |
Cu3iii—Pb1—Br3v | 102.71 (2) | Br5Bxxi—Br5A—Cu4 | 113.4 (2) |
Br3iv—Pb1—Br3v | 123.28 (4) | Cu4i—Br5A—Cu4 | 62.57 (5) |
O6vi—Se1—O6 | 102.0 (3) | Br5B—Br5A—Cu2 | 86.29 (7) |
O6vi—Se1—O5 | 100.4 (2) | Cu7—Br5A—Cu2 | 76.20 (8) |
O6—Se1—O5 | 100.4 (2) | Cu7i—Br5A—Cu2 | 102.59 (9) |
O6vi—Se1—O3 | 63.43 (16) | Br5Bxxi—Br5A—Cu2 | 87.17 (5) |
O6—Se1—O3 | 63.43 (16) | Cu4i—Br5A—Cu2 | 125.11 (6) |
O5—Se1—O3 | 61.9 (2) | Cu4—Br5A—Cu2 | 62.56 (3) |
O6vi—Se1—Cu4 | 83.10 (15) | Br5B—Br5A—Cu2xii | 86.29 (7) |
O6—Se1—Cu4 | 29.28 (15) | Cu7—Br5A—Cu2xii | 102.58 (9) |
O5—Se1—Cu4 | 82.01 (19) | Cu7i—Br5A—Cu2xii | 76.19 (8) |
O3—Se1—Cu4 | 34.15 (6) | Br5Bxxi—Br5A—Cu2xii | 87.17 (6) |
O6vi—Se1—Cu4vi | 29.28 (15) | Cu4i—Br5A—Cu2xii | 62.56 (3) |
O6—Se1—Cu4vi | 83.10 (15) | Cu4—Br5A—Cu2xii | 125.11 (6) |
O5—Se1—Cu4vi | 82.01 (19) | Cu2—Br5A—Cu2xii | 171.98 (9) |
O3—Se1—Cu4vi | 34.15 (6) | Br5B—Br5A—O8iii | 157.49 (11) |
Cu4—Se1—Cu4vi | 57.90 (3) | Cu7—Br5A—O8iii | 71.56 (12) |
O6vi—Se1—Cu2vii | 115.66 (16) | Cu7i—Br5A—O8iii | 81.88 (13) |
O6—Se1—Cu2vii | 115.67 (16) | Br5Bxxi—Br5A—O8iii | 149.19 (18) |
O5—Se1—Cu2vii | 26.8 (2) | Cu4i—Br5A—O8iii | 66.37 (9) |
O3—Se1—Cu2vii | 88.74 (12) | Cu4—Br5A—O8iii | 37.06 (8) |
Cu4—Se1—Cu2vii | 105.44 (3) | Cu2—Br5A—O8iii | 71.21 (8) |
Cu4vi—Se1—Cu2vii | 105.44 (3) | Cu2xii—Br5A—O8iii | 116.15 (9) |
O6vi—Se1—Cu2 | 82.43 (16) | Br5B—Br5A—O8xi | 157.49 (12) |
O6—Se1—Cu2 | 82.44 (16) | Cu7—Br5A—O8xi | 81.88 (13) |
O5—Se1—Cu2 | 28.7 (2) | Cu7i—Br5A—O8xi | 71.56 (12) |
O3—Se1—Cu2 | 33.20 (11) | Br5Bxxi—Br5A—O8xi | 149.19 (18) |
Cu4—Se1—Cu2 | 57.54 (3) | Cu4i—Br5A—O8xi | 37.06 (8) |
Cu4vi—Se1—Cu2 | 57.54 (3) | Cu4—Br5A—O8xi | 66.37 (9) |
Cu2vii—Se1—Cu2 | 55.54 (4) | Cu2—Br5A—O8xi | 116.15 (9) |
O6vi—Se1—Br1vii | 128.84 (15) | Cu2xii—Br5A—O8xi | 71.21 (8) |
O6—Se1—Br1vii | 128.84 (15) | O8iii—Br5A—O8xi | 44.97 (14) |
O5—Se1—Br1vii | 68.3 (2) | Br5B—Br5A—Br5Axxi | 19.5 (18) |
O3—Se1—Br1vii | 130.24 (12) | Cu7—Br5A—Br5Axxi | 122.15 (12) |
Cu4—Se1—Br1vii | 138.74 (3) | Cu7i—Br5A—Br5Axxi | 122.15 (12) |
Cu4vi—Se1—Br1vii | 138.74 (3) | Br5Bxxi—Br5A—Br5Axxi | 3.2 (3) |
Cu2vii—Se1—Br1vii | 41.50 (3) | Cu4i—Br5A—Br5Axxi | 116.09 (8) |
Cu2—Se1—Br1vii | 97.04 (4) | Cu4—Br5A—Br5Axxi | 116.09 (8) |
O6vi—Se1—Br3iv | 75.61 (16) | Cu2—Br5A—Br5Axxi | 87.01 (5) |
O6—Se1—Br3iv | 75.61 (16) | Cu2xii—Br5A—Br5Axxi | 87.01 (5) |
O5—Se1—Br3iv | 173.4 (2) | O8iii—Br5A—Br5Axxi | 151.25 (9) |
O3—Se1—Br3iv | 111.47 (11) | O8xi—Br5A—Br5Axxi | 151.25 (9) |
Cu4—Se1—Br3iv | 92.19 (3) | Br5B—Br5A—O3xii | 115.4 (4) |
Cu4vi—Se1—Br3iv | 92.19 (3) | Cu7—Br5A—O3xii | 106.32 (14) |
Cu2vii—Se1—Br3iv | 159.79 (4) | Cu7i—Br5A—O3xii | 82.91 (13) |
Cu2—Se1—Br3iv | 144.68 (4) | Br5Bxxi—Br5A—O3xii | 108.83 (13) |
Br1vii—Se1—Br3iv | 118.28 (4) | Cu4i—Br5A—O3xii | 32.51 (9) |
O4—Se2—O8 | 100.8 (2) | Cu4—Br5A—O3xii | 94.29 (11) |
O4—Se2—O8vi | 100.8 (2) | Cu2—Br5A—O3xii | 156.13 (12) |
O8—Se2—O8vi | 96.2 (3) | Cu2xii—Br5A—O3xii | 31.89 (9) |
O4—Se2—Cu3 | 28.8 (2) | O8iii—Br5A—O3xii | 86.88 (12) |
O8—Se2—Cu3 | 81.64 (16) | O8xi—Br5A—O3xii | 43.07 (11) |
O8vi—Se2—Cu3 | 81.64 (16) | Br5Axxi—Br5A—O3xii | 109.96 (10) |
O4—Se2—Cu1viii | 102.63 (6) | Br5A—Br5B—Cu7 | 65.4 (17) |
O8—Se2—Cu1viii | 119.90 (15) | Br5A—Br5B—Cu7i | 65.4 (17) |
O8vi—Se2—Cu1viii | 25.28 (14) | Cu7—Br5B—Cu7i | 24.69 (19) |
Cu3—Se2—Cu1viii | 94.01 (3) | Br5A—Br5B—Br5Bxxi | 153 (2) |
O4—Se2—Cu1iii | 102.63 (6) | Cu7—Br5B—Br5Bxxi | 140.7 (9) |
O8—Se2—Cu1iii | 25.28 (14) | Cu7i—Br5B—Br5Bxxi | 140.7 (9) |
O8vi—Se2—Cu1iii | 119.90 (15) | Br5A—Br5B—Br5Axxi | 157 (2) |
Cu3—Se2—Cu1iii | 94.01 (3) | Cu7—Br5B—Br5Axxi | 136.5 (5) |
Cu1viii—Se2—Cu1iii | 140.96 (5) | Cu7i—Br5B—Br5Axxi | 136.5 (5) |
O4—Se2—Cu4ix | 81.6 (2) | Br5Bxxi—Br5B—Br5Axxi | 4.4 (4) |
O8—Se2—Cu4ix | 79.08 (15) | Br5A—Br5B—Cu2 | 84.6 (2) |
O8vi—Se2—Cu4ix | 28.59 (15) | Cu7—Br5B—Cu2 | 74.0 (2) |
Cu3—Se2—Cu4ix | 56.72 (3) | Cu7i—Br5B—Cu2 | 98.6 (3) |
Cu1viii—Se2—Cu4ix | 51.31 (2) | Br5Bxxi—Br5B—Cu2 | 95.5 (2) |
Cu1iii—Se2—Cu4ix | 104.30 (4) | Br5Axxi—Br5B—Cu2 | 95.6 (2) |
O4—Se2—Cu4iii | 81.6 (2) | Br5A—Br5B—Cu2xii | 84.6 (2) |
O8—Se2—Cu4iii | 28.59 (15) | Cu7—Br5B—Cu2xii | 98.6 (3) |
O8vi—Se2—Cu4iii | 79.07 (15) | Cu7i—Br5B—Cu2xii | 74.0 (2) |
Cu3—Se2—Cu4iii | 56.72 (3) | Br5Bxxi—Br5B—Cu2xii | 95.5 (2) |
Cu1viii—Se2—Cu4iii | 104.30 (4) | Br5Axxi—Br5B—Cu2xii | 95.6 (2) |
Cu1iii—Se2—Cu4iii | 51.31 (2) | Cu2—Br5B—Cu2xii | 168.7 (5) |
Cu4ix—Se2—Cu4iii | 55.12 (3) | Br5A—Br5B—Cu4i | 42.3 (12) |
O4—Se2—Br1x | 172.6 (2) | Cu7—Br5B—Cu4i | 102.8 (4) |
O8—Se2—Br1x | 84.14 (16) | Cu7i—Br5B—Cu4i | 91.3 (3) |
O8vi—Se2—Br1x | 84.14 (16) | Br5Bxxi—Br5B—Cu4i | 115.8 (7) |
Cu3—Se2—Br1x | 158.65 (4) | Br5Axxi—Br5B—Cu4i | 119.6 (4) |
Cu1viii—Se2—Br1x | 79.39 (3) | Cu2—Br5B—Cu4i | 113.9 (3) |
Cu1iii—Se2—Br1x | 79.39 (3) | Cu2xii—Br5B—Cu4i | 58.71 (14) |
Cu4ix—Se2—Br1x | 104.92 (3) | Br5A—Br5B—Cu4 | 42.3 (12) |
Cu4iii—Se2—Br1x | 104.92 (3) | Cu7—Br5B—Cu4 | 91.3 (3) |
O4—Se2—O1iii | 62.0 (2) | Cu7i—Br5B—Cu4 | 102.8 (4) |
O8—Se2—O1iii | 61.41 (16) | Br5Bxxi—Br5B—Cu4 | 115.8 (7) |
O8vi—Se2—O1iii | 61.41 (16) | Br5Axxi—Br5B—Cu4 | 119.6 (4) |
Cu3—Se2—O1iii | 33.18 (11) | Cu2—Br5B—Cu4 | 58.71 (14) |
Cu1viii—Se2—O1iii | 83.09 (4) | Cu2xii—Br5B—Cu4 | 113.9 (3) |
Cu1iii—Se2—O1iii | 83.09 (4) | Cu4i—Br5B—Cu4 | 55.4 (2) |
Cu4ix—Se2—O1iii | 32.82 (6) | Br5A—Br5B—O5xxi | 116.6 (4) |
Cu4iii—Se2—O1iii | 32.82 (6) | Cu7—Br5B—O5xxi | 103.7 (4) |
Br1x—Se2—O1iii | 125.46 (11) | Cu7i—Br5B—O5xxi | 82.0 (3) |
O4—Se2—Cu5 | 24.8 (2) | Br5Bxxi—Br5B—O5xxi | 70.9 (3) |
O8—Se2—Cu5 | 115.98 (16) | Br5Axxi—Br5B—O5xxi | 69.4 (2) |
O8vi—Se2—Cu5 | 115.98 (16) | Cu2—Br5B—O5xxi | 156.2 (4) |
Cu3—Se2—Cu5 | 53.55 (4) | Cu2xii—Br5B—O5xxi | 33.04 (11) |
Cu1viii—Se2—Cu5 | 107.72 (3) | Cu4i—Br5B—O5xxi | 89.85 (13) |
Cu1iii—Se2—Cu5 | 107.72 (3) | Cu4—Br5B—O5xxi | 144.7 (3) |
Cu4ix—Se2—Cu5 | 103.54 (3) | Br5A—Br5B—O5vii | 116.6 (4) |
Cu4iii—Se2—Cu5 | 103.54 (3) | Cu7—Br5B—O5vii | 82.0 (3) |
Br1x—Se2—Cu5 | 147.80 (4) | Cu7i—Br5B—O5vii | 103.7 (4) |
O1iii—Se2—Cu5 | 86.73 (11) | Br5Bxxi—Br5B—O5vii | 70.9 (3) |
O4—Se2—Br2iii | 107.33 (10) | Br5Axxi—Br5B—O5vii | 69.4 (2) |
O8—Se2—Br2iii | 64.33 (14) | Cu2—Br5B—O5vii | 33.04 (11) |
O8vi—Se2—Br2iii | 148.12 (16) | Cu2xii—Br5B—O5vii | 156.2 (4) |
Cu3—Se2—Br2iii | 117.32 (2) | Cu4i—Br5B—O5vii | 144.7 (3) |
Cu1viii—Se2—Br2iii | 148.30 (4) | Cu4—Br5B—O5vii | 89.85 (13) |
Cu1iii—Se2—Br2iii | 39.34 (3) | O5xxi—Br5B—O5vii | 123.5 (4) |
Cu4ix—Se2—Br2iii | 143.26 (3) | Br5A—Br5B—O5xii | 100.0 (9) |
Cu4iii—Se2—Br2iii | 90.23 (3) | Cu7—Br5B—O5xii | 132.2 (3) |
Br1x—Se2—Br2iii | 69.60 (2) | Cu7i—Br5B—O5xii | 107.53 (17) |
O1iii—Se2—Br2iii | 120.18 (2) | Br5Bxxi—Br5B—O5xii | 68.4 (3) |
Cu5—Se2—Br2iii | 95.65 (3) | Br5Axxi—Br5B—O5xii | 70.0 (2) |
O9—Se3—O9i | 101.6 (3) | Cu2—Br5B—O5xii | 153.0 (5) |
O9—Se3—O7 | 101.8 (2) | Cu2xii—Br5B—O5xii | 33.58 (11) |
O9i—Se3—O7 | 101.8 (2) | Cu4i—Br5B—O5xii | 59.91 (18) |
O9—Se3—O2iii | 63.74 (17) | Cu4—Br5B—O5xii | 107.7 (4) |
O9i—Se3—O2iii | 63.74 (17) | O5xxi—Br5B—O5xii | 39.8 (2) |
O7—Se3—O2iii | 63.2 (2) | O5vii—Br5B—O5xii | 139.3 (4) |
O9—Se3—Cu6 | 30.07 (16) | Cu7i—Cu7—Br5A | 76.77 (7) |
O9i—Se3—Cu6 | 83.11 (16) | Cu7i—Cu7—Br5B | 77.65 (10) |
O7—Se3—Cu6 | 82.59 (18) | Br5A—Cu7—Br5B | 11.3 (3) |
O2iii—Se3—Cu6 | 33.67 (6) | Cu7i—Cu7—Br2xiv | 77.75 (6) |
O9—Se3—Cu6xi | 83.11 (16) | Br5A—Cu7—Br2xiv | 108.97 (13) |
O9i—Se3—Cu6xi | 30.07 (16) | Br5B—Cu7—Br2xiv | 98.4 (3) |
O7—Se3—Cu6xi | 82.59 (18) | Cu7i—Cu7—Br1xiv | 77.81 (6) |
O2iii—Se3—Cu6xi | 33.67 (6) | Br5A—Cu7—Br1xiv | 127.45 (13) |
Cu6—Se3—Cu6xi | 57.52 (2) | Br5B—Cu7—Br1xiv | 137.6 (3) |
O9—Se3—Cu3iii | 83.27 (17) | Br2xiv—Cu7—Br1xiv | 109.42 (11) |
O9i—Se3—Cu3iii | 83.27 (17) | Cu7i—Cu7—Br1 | 175.12 (7) |
O7—Se3—Cu3iii | 29.5 (2) | Br5A—Cu7—Br1 | 107.26 (11) |
O2iii—Se3—Cu3iii | 33.72 (12) | Br5B—Cu7—Br1 | 106.85 (13) |
Cu6—Se3—Cu3iii | 57.37 (2) | Br2xiv—Cu7—Br1 | 103.11 (10) |
Cu6xi—Se3—Cu3iii | 57.37 (2) | Br1xiv—Cu7—Br1 | 97.43 (10) |
O9—Se3—Cu5xii | 115.23 (16) | Cu7i—Cu7—Cu1xiv | 80.10 (5) |
O9i—Se3—Cu5xii | 21.69 (16) | Br5A—Cu7—Cu1xiv | 151.01 (12) |
O7—Se3—Cu5xii | 112.96 (7) | Br5B—Cu7—Cu1xiv | 143.5 (3) |
O2iii—Se3—Cu5xii | 85.37 (6) | Br2xiv—Cu7—Cu1xiv | 48.34 (6) |
Cu6—Se3—Cu5xii | 102.84 (3) | Br1xiv—Cu7—Cu1xiv | 62.71 (7) |
Cu6xi—Se3—Cu5xii | 51.71 (2) | Br1—Cu7—Cu1xiv | 96.84 (9) |
Cu3iii—Se3—Cu5xii | 101.43 (3) | Cu7i—Cu7—Cu7xiv | 127.58 (10) |
O9—Se3—Cu5 | 21.69 (16) | Br5A—Cu7—Cu7xiv | 132.97 (16) |
O9i—Se3—Cu5 | 115.23 (16) | Br5B—Cu7—Cu7xiv | 140.7 (3) |
O7—Se3—Cu5 | 112.96 (7) | Br2xiv—Cu7—Cu7xiv | 114.99 (13) |
O2iii—Se3—Cu5 | 85.37 (6) | Br1xiv—Cu7—Cu7xiv | 49.78 (8) |
Cu6—Se3—Cu5 | 51.71 (2) | Br1—Cu7—Cu7xiv | 47.65 (7) |
Cu6xi—Se3—Cu5 | 102.84 (3) | Cu1xiv—Cu7—Cu7xiv | 75.52 (10) |
Cu3iii—Se3—Cu5 | 101.43 (3) | Cu7i—Cu7—O8iii | 102.49 (8) |
Cu5xii—Se3—Cu5 | 122.04 (5) | Br5A—Cu7—O8iii | 67.81 (11) |
Cu2—Br1—Cu7xiii | 140.02 (8) | Br5B—Cu7—O8iii | 78.3 (3) |
Cu2—Br1—Cu7xiv | 140.02 (8) | Br2xiv—Cu7—O8iii | 176.50 (14) |
Cu7xiii—Br1—Cu7xiv | 24.38 (12) | Br1xiv—Cu7—O8iii | 73.99 (10) |
Cu2—Br1—Cu7vi | 85.61 (7) | Br1—Cu7—O8iii | 76.96 (10) |
Cu7xiii—Br1—Cu7vi | 82.57 (10) | Cu1xiv—Cu7—O8iii | 135.16 (13) |
Cu7xiv—Br1—Cu7vi | 106.94 (9) | Cu7xiv—Cu7—O8iii | 67.71 (11) |
Cu2—Br1—Cu7 | 85.61 (7) | Cu7i—Cu7—Cu2 | 139.18 (5) |
Cu7xiii—Br1—Cu7 | 106.94 (9) | Br5A—Cu7—Cu2 | 62.60 (7) |
Cu7xiv—Br1—Cu7 | 82.57 (10) | Br5B—Cu7—Cu2 | 61.76 (10) |
Cu7vi—Br1—Cu7 | 170.25 (14) | Br2xiv—Cu7—Cu2 | 110.70 (11) |
Cu2—Br1—Cu1 | 73.96 (5) | Br1xiv—Cu7—Cu2 | 130.03 (10) |
Cu7xiii—Br1—Cu1 | 68.19 (7) | Br1—Cu7—Cu2 | 45.16 (5) |
Cu7xiv—Br1—Cu1 | 68.19 (7) | Cu1xiv—Cu7—Cu2 | 136.23 (9) |
Cu7vi—Br1—Cu1 | 90.82 (7) | Cu7xiv—Cu7—Cu2 | 86.35 (11) |
Cu7—Br1—Cu1 | 90.82 (7) | O8iii—Cu7—Cu2 | 66.80 (9) |
Cu2—Br1—O3 | 36.86 (12) | Cu7i—Cu7—Br1xii | 3.46 (5) |
Cu7xiii—Br1—O3 | 104.42 (13) | Br5A—Cu7—Br1xii | 79.66 (7) |
Cu7xiv—Br1—O3 | 104.42 (13) | Br5B—Cu7—Br1xii | 80.86 (10) |
Cu7vi—Br1—O3 | 87.76 (7) | Br2xiv—Cu7—Br1xii | 78.41 (7) |
Cu7—Br1—O3 | 87.76 (7) | Br1xiv—Cu7—Br1xii | 74.43 (7) |
Cu1—Br1—O3 | 37.11 (12) | Br1—Cu7—Br1xii | 171.66 (12) |
Cu2—Br1—O5vii | 35.50 (12) | Cu1xiv—Cu7—Br1xii | 77.95 (6) |
Cu7xiii—Br1—O5vii | 167.48 (7) | Cu7xiv—Cu7—Br1xii | 124.19 (14) |
Cu7xiv—Br1—O5vii | 167.48 (7) | O8iii—Cu7—Br1xii | 102.04 (10) |
Cu7vi—Br1—O5vii | 85.20 (7) | Cu2—Cu7—Br1xii | 142.20 (9) |
Cu7—Br1—O5vii | 85.20 (7) | Cu7i—Cu7—O8xi | 61.49 (7) |
Cu1—Br1—O5vii | 109.46 (12) | Br5A—Cu7—O8xi | 60.42 (10) |
O3—Br1—O5vii | 72.35 (16) | Br5B—Cu7—O8xi | 70.9 (3) |
Cu2—Br1—Se2xv | 132.49 (5) | Br2xiv—Cu7—O8xi | 139.09 (11) |
Cu7xiii—Br1—Se2xv | 85.98 (7) | Br1xiv—Cu7—O8xi | 67.04 (9) |
Cu7xiv—Br1—Se2xv | 85.98 (7) | Br1—Cu7—O8xi | 117.80 (11) |
Cu7vi—Br1—Se2xv | 91.40 (7) | Cu1xiv—Cu7—O8xi | 121.51 (11) |
Cu7—Br1—Se2xv | 91.40 (7) | Cu7xiv—Cu7—O8xi | 93.92 (13) |
Cu1—Br1—Se2xv | 153.54 (5) | O8iii—Cu7—O8xi | 40.99 (13) |
O3—Br1—Se2xv | 169.35 (12) | Cu2—Cu7—O8xi | 98.85 (10) |
O5vii—Br1—Se2xv | 97.00 (12) | Br1xii—Cu7—O8xi | 61.12 (8) |
Cu2—Br1—Se1vii | 64.42 (4) | Cu4—O1—Cu4i | 109.0 (3) |
Cu7xiii—Br1—Se1vii | 151.43 (7) | Cu4—O1—Cu3iii | 112.0 (2) |
Cu7xiv—Br1—Se1vii | 151.43 (7) | Cu4i—O1—Cu3iii | 112.0 (2) |
Cu7vi—Br1—Se1vii | 86.20 (7) | Cu4—O1—Pb1 | 107.8 (2) |
Cu7—Br1—Se1vii | 86.20 (7) | Cu4i—O1—Pb1 | 107.8 (2) |
Cu1—Br1—Se1vii | 138.39 (4) | Cu3iii—O1—Pb1 | 108.2 (3) |
O3—Br1—Se1vii | 101.28 (12) | Cu4—O1—O6 | 48.15 (14) |
O5vii—Br1—Se1vii | 28.93 (11) | Cu4i—O1—O6 | 116.8 (3) |
Se2xv—Br1—Se1vii | 68.07 (3) | Cu3iii—O1—O6 | 131.12 (18) |
Cu2—Br1—O8xv | 145.67 (8) | Pb1—O1—O6 | 59.99 (16) |
Cu7xiii—Br1—O8xv | 73.12 (10) | Cu4—O1—O6i | 116.8 (3) |
Cu7xiv—Br1—O8xv | 64.04 (10) | Cu4i—O1—O6i | 48.15 (14) |
Cu7vi—Br1—O8xv | 113.25 (9) | Cu3iii—O1—O6i | 131.12 (18) |
Cu7—Br1—O8xv | 72.48 (9) | Pb1—O1—O6i | 59.99 (16) |
Cu1—Br1—O8xv | 130.83 (8) | O6—O1—O6i | 86.7 (3) |
O3—Br1—O8xv | 157.88 (8) | Cu4—O1—O7 | 125.49 (16) |
O5vii—Br1—O8xv | 114.53 (13) | Cu4i—O1—O7 | 125.49 (16) |
Se2xv—Br1—O8xv | 27.82 (7) | Cu3iii—O1—O7 | 48.3 (2) |
Se1vii—Br1—O8xv | 87.54 (8) | Pb1—O1—O7 | 60.0 (2) |
Cu2—Br1—O8xvi | 145.67 (8) | O6—O1—O7 | 101.9 (2) |
Cu7xiii—Br1—O8xvi | 64.04 (10) | O6i—O1—O7 | 101.9 (2) |
Cu7xiv—Br1—O8xvi | 73.12 (10) | Cu4—O1—O8iii | 42.35 (14) |
Cu7vi—Br1—O8xvi | 72.48 (9) | Cu4i—O1—O8iii | 87.4 (2) |
Cu7—Br1—O8xvi | 113.25 (9) | Cu3iii—O1—O8iii | 88.5 (2) |
Cu1—Br1—O8xvi | 130.83 (8) | Pb1—O1—O8iii | 150.11 (17) |
O3—Br1—O8xvi | 157.88 (8) | O6—O1—O8iii | 90.26 (17) |
O5vii—Br1—O8xvi | 114.53 (13) | O6i—O1—O8iii | 126.1 (3) |
Se2xv—Br1—O8xvi | 27.82 (7) | O7—O1—O8iii | 131.1 (2) |
Se1vii—Br1—O8xvi | 87.54 (8) | Cu4—O1—O8xi | 87.4 (2) |
O8xv—Br1—O8xvi | 40.87 (12) | Cu4i—O1—O8xi | 42.35 (14) |
Cu1—Br2—Cu7xiv | 79.00 (8) | Cu3iii—O1—O8xi | 88.5 (2) |
Cu1—Br2—Cu7xiii | 79.00 (8) | Pb1—O1—O8xi | 150.11 (17) |
Cu7xiv—Br2—Cu7xiii | 24.51 (13) | O6—O1—O8xi | 126.1 (3) |
Cu1—Br2—Pb1xvii | 142.33 (5) | O6i—O1—O8xi | 90.26 (17) |
Cu7xiv—Br2—Pb1xvii | 137.46 (8) | O7—O1—O8xi | 131.1 (2) |
Cu7xiii—Br2—Pb1xvii | 137.46 (8) | O8iii—O1—O8xi | 50.41 (18) |
Cu1—Br2—O8iii | 35.43 (7) | Cu4—O1—O4iii | 89.2 (2) |
Cu7xiv—Br2—O8iii | 80.26 (11) | Cu4i—O1—O4iii | 89.2 (2) |
Cu7xiii—Br2—O8iii | 94.14 (11) | Cu3iii—O1—O4iii | 41.40 (18) |
Pb1xvii—Br2—O8iii | 125.22 (9) | Pb1—O1—O4iii | 149.7 (3) |
Cu1—Br2—O8ix | 35.43 (7) | O6—O1—O4iii | 134.28 (15) |
Cu7xiv—Br2—O8ix | 94.14 (11) | O6i—O1—O4iii | 134.28 (15) |
Cu7xiii—Br2—O8ix | 80.26 (11) | O7—O1—O4iii | 89.7 (3) |
Pb1xvii—Br2—O8ix | 125.22 (9) | O8iii—O1—O4iii | 51.88 (17) |
O8iii—Br2—O8ix | 69.34 (14) | O8xi—O1—O4iii | 51.88 (17) |
Cu1—Br2—O6xvii | 148.25 (7) | Cu4—O1—Se2iii | 72.51 (18) |
Cu7xiv—Br2—O6xvii | 111.76 (10) | Cu4i—O1—Se2iii | 72.51 (18) |
Cu7xiii—Br2—O6xvii | 98.72 (10) | Cu3iii—O1—Se2iii | 71.23 (18) |
Pb1xvii—Br2—O6xvii | 42.60 (7) | Pb1—O1—Se2iii | 179.5 (3) |
O8iii—Br2—O6xvii | 167.14 (11) | O6—O1—Se2iii | 120.33 (18) |
O8ix—Br2—O6xvii | 112.82 (10) | O6i—O1—Se2iii | 120.33 (18) |
Cu1—Br2—O6xviii | 148.25 (7) | O7—O1—Se2iii | 119.5 (2) |
Cu7xiv—Br2—O6xviii | 98.72 (10) | O8iii—O1—Se2iii | 30.17 (10) |
Cu7xiii—Br2—O6xviii | 111.76 (10) | O8xi—O1—Se2iii | 30.17 (10) |
Pb1xvii—Br2—O6xviii | 42.60 (7) | O4iii—O1—Se2iii | 29.83 (14) |
O8iii—Br2—O6xviii | 112.82 (10) | Cu4—O1—Br4 | 57.43 (9) |
O8ix—Br2—O6xviii | 167.14 (11) | Cu4i—O1—Br4 | 152.4 (3) |
O6xvii—Br2—O6xviii | 62.13 (13) | Cu3iii—O1—Br4 | 61.07 (9) |
Cu1—Br2—Se2iii | 63.18 (2) | Pb1—O1—Br4 | 99.56 (13) |
Cu7xiv—Br2—Se2iii | 87.35 (7) | O6—O1—Br4 | 73.86 (10) |
Cu7xiii—Br2—Se2iii | 108.64 (7) | O6i—O1—Br4 | 157.5 (2) |
Pb1xvii—Br2—Se2iii | 102.42 (3) | O7—O1—Br4 | 71.91 (12) |
O8iii—Br2—Se2iii | 27.91 (7) | O8iii—O1—Br4 | 66.48 (11) |
O8ix—Br2—Se2iii | 95.54 (8) | O8xi—O1—Br4 | 110.26 (18) |
O6xvii—Br2—Se2iii | 143.54 (7) | O4iii—O1—Br4 | 68.10 (10) |
O6xviii—Br2—Se2iii | 85.13 (7) | Se2iii—O1—Br4 | 80.20 (10) |
Cu1—Br2—Se2viii | 63.18 (2) | Cu6—O2—Cu6ix | 113.1 (3) |
Cu7xiv—Br2—Se2viii | 108.64 (7) | Cu6—O2—Cu3 | 113.0 (2) |
Cu7xiii—Br2—Se2viii | 87.35 (7) | Cu6ix—O2—Cu3 | 113.0 (2) |
Pb1xvii—Br2—Se2viii | 102.42 (3) | Cu6—O2—Cu5 | 104.7 (2) |
O8iii—Br2—Se2viii | 95.54 (8) | Cu6ix—O2—Cu5 | 104.7 (2) |
O8ix—Br2—Se2viii | 27.91 (7) | Cu3—O2—Cu5 | 107.4 (3) |
O6xvii—Br2—Se2viii | 85.13 (7) | Cu6—O2—O4 | 123.07 (16) |
O6xviii—Br2—Se2viii | 143.54 (7) | Cu6ix—O2—O4 | 123.07 (16) |
Se2iii—Br2—Se2viii | 119.00 (4) | Cu3—O2—O4 | 52.8 (2) |
Cu1—Br2—Br5Bxiv | 117.8 (2) | Cu5—O2—O4 | 54.6 (2) |
Cu7xiv—Br2—Br5Bxiv | 40.60 (19) | Cu6—O2—O9vi | 124.1 (3) |
Cu7xiii—Br2—Br5Bxiv | 40.60 (19) | Cu6ix—O2—O9vi | 50.56 (14) |
Pb1xvii—Br2—Br5Bxiv | 99.92 (19) | Cu3—O2—O9vi | 122.5 (2) |
O8iii—Br2—Br5Bxiv | 118.57 (17) | Cu5—O2—O9vi | 54.18 (17) |
O8ix—Br2—Br5Bxiv | 118.57 (17) | O4—O2—O9vi | 88.3 (2) |
O6xvii—Br2—Br5Bxiv | 72.26 (18) | Cu6—O2—O9 | 50.56 (14) |
O6xviii—Br2—Br5Bxiv | 72.26 (18) | Cu6ix—O2—O9 | 124.1 (3) |
Se2iii—Br2—Br5Bxiv | 114.57 (7) | Cu3—O2—O9 | 122.5 (2) |
Se2viii—Br2—Br5Bxiv | 114.57 (7) | Cu5—O2—O9 | 54.18 (17) |
Cu1—Br2—Br5Axiv | 110.68 (6) | O4—O2—O9 | 88.3 (2) |
Cu7xiv—Br2—Br5Axiv | 33.98 (8) | O9vi—O2—O9 | 91.5 (3) |
Cu7xiii—Br2—Br5Axiv | 33.98 (8) | Cu6—O2—O7iii | 90.9 (2) |
Pb1xvii—Br2—Br5Axiv | 106.99 (5) | Cu6ix—O2—O7iii | 90.9 (2) |
O8iii—Br2—Br5Axiv | 113.09 (9) | Cu3—O2—O7iii | 43.54 (19) |
O8ix—Br2—Br5Axiv | 113.09 (9) | Cu5—O2—O7iii | 151.0 (3) |
O6xvii—Br2—Br5Axiv | 78.24 (8) | O4—O2—O7iii | 96.3 (3) |
O6xviii—Br2—Br5Axiv | 78.24 (8) | O9vi—O2—O7iii | 134.11 (15) |
Se2iii—Br2—Br5Axiv | 112.14 (3) | O9—O2—O7iii | 134.11 (15) |
Se2viii—Br2—Br5Axiv | 112.14 (3) | Cu6—O2—O9ix | 91.0 (2) |
Br5Bxiv—Br2—Br5Axiv | 7.07 (19) | Cu6ix—O2—O9ix | 42.60 (15) |
Cu5—Br3—O9 | 36.77 (7) | Cu3—O2—O9ix | 91.9 (2) |
Cu5—Br3—O9vi | 36.76 (7) | Cu5—O2—O9ix | 147.2 (2) |
O9—Br3—O9vi | 63.85 (15) | O4—O2—O9ix | 137.0 (3) |
Cu5—Br3—O4 | 35.46 (11) | O9vi—O2—O9ix | 93.16 (17) |
O9—Br3—O4 | 60.67 (12) | O9—O2—O9ix | 134.5 (3) |
O9vi—Br3—O4 | 60.67 (12) | O7iii—O2—O9ix | 53.86 (18) |
Cu5—Br3—O6iv | 135.13 (8) | Cu6—O2—O9iii | 42.60 (15) |
O9—Br3—O6iv | 158.89 (11) | Cu6ix—O2—O9iii | 91.0 (2) |
O9vi—Br3—O6iv | 122.57 (10) | Cu3—O2—O9iii | 91.9 (2) |
O4—Br3—O6iv | 103.29 (13) | Cu5—O2—O9iii | 147.2 (2) |
Cu5—Br3—O6xix | 135.13 (8) | O4—O2—O9iii | 137.0 (3) |
O9—Br3—O6xix | 122.57 (10) | O9vi—O2—O9iii | 134.5 (3) |
O9vi—Br3—O6xix | 158.89 (11) | O9—O2—O9iii | 93.16 (17) |
O4—Br3—O6xix | 103.29 (13) | O7iii—O2—O9iii | 53.86 (18) |
O6iv—Br3—O6xix | 43.81 (13) | O9ix—O2—O9iii | 53.6 (2) |
Cu5—Br3—Se1iv | 122.39 (5) | Cu6—O2—Se3iii | 74.07 (19) |
O9—Br3—Se1iv | 131.75 (8) | Cu6ix—O2—Se3iii | 74.07 (19) |
O9vi—Br3—Se1iv | 131.75 (8) | Cu3—O2—Se3iii | 75.0 (2) |
O4—Br3—Se1iv | 86.93 (11) | Cu5—O2—Se3iii | 177.5 (3) |
O6iv—Br3—Se1iv | 27.72 (7) | O4—O2—Se3iii | 127.8 (3) |
O6xix—Br3—Se1iv | 27.72 (7) | O9vi—O2—Se3iii | 124.62 (18) |
Cu5—Br3—Pb1iv | 115.00 (2) | O9—O2—Se3iii | 124.62 (18) |
O9—Br3—Pb1iv | 149.85 (7) | O7iii—O2—Se3iii | 31.51 (15) |
O9vi—Br3—Pb1iv | 86.22 (7) | O9ix—O2—Se3iii | 31.47 (11) |
O4—Br3—Pb1iv | 102.61 (5) | O9iii—O2—Se3iii | 31.47 (11) |
O6iv—Br3—Pb1iv | 40.74 (7) | Cu6—O2—O2iii | 0.0 |
O6xix—Br3—Pb1iv | 84.20 (7) | Cu6ix—O2—O2iii | 113.1 (3) |
Se1iv—Br3—Pb1iv | 65.824 (19) | Cu3—O2—O2iii | 113.0 (2) |
Cu5—Br3—Pb1v | 115.00 (2) | Cu5—O2—O2iii | 104.7 (2) |
O9—Br3—Pb1v | 86.22 (7) | O4—O2—O2iii | 123.07 (16) |
O9vi—Br3—Pb1v | 149.84 (7) | O9vi—O2—O2iii | 124.1 (3) |
O4—Br3—Pb1v | 102.61 (5) | O9—O2—O2iii | 50.56 (14) |
O6iv—Br3—Pb1v | 84.20 (7) | O7iii—O2—O2iii | 90.9 (2) |
O6xix—Br3—Pb1v | 40.74 (7) | O9ix—O2—O2iii | 91.0 (2) |
Se1iv—Br3—Pb1v | 65.824 (19) | O9iii—O2—O2iii | 42.60 (15) |
Pb1iv—Br3—Pb1v | 123.28 (4) | Se3iii—O2—O2iii | 74.07 (19) |
Cu5—Br3—O7v | 123.37 (8) | Cu2—O3—Cu4vi | 114.6 (2) |
O9—Br3—O7v | 86.61 (11) | Cu2—O3—Cu4 | 114.6 (2) |
O9vi—Br3—O7v | 136.81 (12) | Cu4vi—O3—Cu4 | 112.4 (3) |
O4—Br3—O7v | 131.81 (6) | Cu2—O3—Cu1 | 118.4 (3) |
O6iv—Br3—O7v | 96.54 (11) | Cu4vi—O3—Cu1 | 97.2 (2) |
O6xix—Br3—O7v | 63.76 (11) | Cu4—O3—Cu1 | 97.2 (2) |
Se1iv—Br3—O7v | 91.35 (9) | Cu2—O3—O8ix | 116.5 (2) |
Pb1iv—Br3—O7v | 120.34 (8) | Cu4vi—O3—O8ix | 52.15 (13) |
Pb1v—Br3—O7v | 36.25 (8) | Cu4—O3—O8ix | 127.9 (3) |
Cu5—Br3—O7iv | 123.37 (8) | Cu1—O3—O8ix | 48.95 (14) |
O9—Br3—O7iv | 136.81 (12) | Cu2—O3—O8iii | 116.5 (2) |
O9vi—Br3—O7iv | 86.61 (11) | Cu4vi—O3—O8iii | 127.9 (3) |
O4—Br3—O7iv | 131.81 (6) | Cu4—O3—O8iii | 52.15 (13) |
O6iv—Br3—O7iv | 63.76 (11) | Cu1—O3—O8iii | 48.95 (14) |
O6xix—Br3—O7iv | 96.54 (11) | O8ix—O3—O8iii | 95.2 (3) |
Se1iv—Br3—O7iv | 91.35 (9) | Cu2—O3—O5 | 44.71 (19) |
Pb1iv—Br3—O7iv | 36.25 (8) | Cu4vi—O3—O5 | 92.1 (2) |
Pb1v—Br3—O7iv | 120.34 (8) | Cu4—O3—O5 | 92.1 (2) |
O7v—Br3—O7iv | 96.36 (13) | Cu1—O3—O5 | 163.1 (3) |
Cu5—Br3—O2 | 0.02 (9) | O8ix—O3—O5 | 132.28 (14) |
O9—Br3—O2 | 36.76 (8) | O8iii—O3—O5 | 132.28 (14) |
O9vi—Br3—O2 | 36.76 (8) | Cu2—O3—O6vi | 93.7 (2) |
O4—Br3—O2 | 35.48 (14) | Cu4vi—O3—O6vi | 42.78 (14) |
O6iv—Br3—O2 | 135.15 (11) | Cu4—O3—O6vi | 91.5 (2) |
O6xix—Br3—O2 | 135.15 (11) | Cu1—O3—O6vi | 138.5 (2) |
Se1iv—Br3—O2 | 122.41 (9) | O8ix—O3—O6vi | 94.66 (16) |
Pb1iv—Br3—O2 | 115.00 (3) | O8iii—O3—O6vi | 139.2 (3) |
Pb1v—Br3—O2 | 115.00 (3) | O5—O3—O6vi | 54.72 (17) |
O7v—Br3—O2 | 123.36 (9) | Cu2—O3—O6 | 93.7 (2) |
O7iv—Br3—O2 | 123.36 (9) | Cu4vi—O3—O6 | 91.5 (2) |
Cu4—Br4—Cu4vi | 63.29 (4) | Cu4—O3—O6 | 42.78 (15) |
Cu4—Br4—Cu3viii | 125.13 (4) | Cu1—O3—O6 | 138.5 (2) |
Cu4vi—Br4—Cu3viii | 61.84 (3) | O8ix—O3—O6 | 139.2 (3) |
Cu4—Br4—Cu3iii | 61.84 (3) | O8iii—O3—O6 | 94.66 (16) |
Cu4vi—Br4—Cu3iii | 125.13 (4) | O5—O3—O6 | 54.72 (17) |
Cu3viii—Br4—Cu3iii | 173.02 (6) | O6vi—O3—O6 | 54.4 (2) |
Cu4—Br4—Cu6ix | 175.04 (3) | Cu2—O3—Br1 | 51.33 (15) |
Cu4vi—Br4—Cu6ix | 119.96 (2) | Cu4vi—O3—Br1 | 123.23 (16) |
Cu3viii—Br4—Cu6ix | 58.26 (3) | Cu4—O3—Br1 | 123.23 (16) |
Cu3iii—Br4—Cu6ix | 114.77 (4) | Cu1—O3—Br1 | 67.02 (18) |
Cu4—Br4—Cu6 | 119.96 (2) | O8ix—O3—Br1 | 83.36 (19) |
Cu4vi—Br4—Cu6 | 175.04 (3) | O8iii—O3—Br1 | 83.36 (19) |
Cu3viii—Br4—Cu6 | 114.77 (4) | O5—O3—Br1 | 96.0 (2) |
Cu3iii—Br4—Cu6 | 58.26 (3) | O6vi—O3—Br1 | 137.15 (19) |
Cu6ix—Br4—Cu6 | 56.52 (3) | O6—O3—Br1 | 137.15 (19) |
Cu4—Br4—O3 | 33.20 (4) | Cu2—O3—Se1 | 77.1 (2) |
Cu4vi—Br4—O3 | 33.20 (4) | Cu4vi—O3—Se1 | 74.55 (18) |
Cu3viii—Br4—O3 | 93.42 (3) | Cu4—O3—Se1 | 74.55 (18) |
Cu3iii—Br4—O3 | 93.42 (3) | Cu1—O3—Se1 | 164.5 (3) |
Cu6ix—Br4—O3 | 148.39 (5) | O8ix—O3—Se1 | 126.30 (17) |
Cu6—Br4—O3 | 148.39 (5) | O8iii—O3—Se1 | 126.30 (17) |
Cu4—Br4—Cu1 | 51.24 (3) | O5—O3—Se1 | 32.44 (15) |
Cu4vi—Br4—Cu1 | 51.24 (3) | O6vi—O3—Se1 | 31.77 (10) |
Cu3viii—Br4—Cu1 | 92.52 (3) | O6—O3—Se1 | 31.77 (10) |
Cu3iii—Br4—Cu1 | 92.52 (3) | Br1—O3—Se1 | 128.5 (2) |
Cu6ix—Br4—Cu1 | 127.05 (3) | Cu2—O3—Br4 | 165.0 (3) |
Cu6—Br4—Cu1 | 127.05 (3) | Cu4vi—O3—Br4 | 60.14 (16) |
O3—Br4—Cu1 | 32.05 (10) | Cu4—O3—Br4 | 60.14 (16) |
Cu4—Br4—O1 | 32.13 (9) | Cu1—O3—Br4 | 76.63 (19) |
Cu4vi—Br4—O1 | 94.10 (9) | O8ix—O3—Br4 | 72.51 (18) |
Cu3viii—Br4—O1 | 154.34 (10) | O8iii—O3—Br4 | 72.51 (18) |
Cu3iii—Br4—O1 | 32.27 (9) | O5—O3—Br4 | 120.3 (2) |
Cu6ix—Br4—O1 | 145.58 (9) | O6vi—O3—Br4 | 73.01 (16) |
Cu6—Br4—O1 | 89.79 (9) | O6—O3—Br4 | 73.00 (16) |
O3—Br4—O1 | 65.32 (10) | Br1—O3—Br4 | 143.7 (2) |
Cu1—Br4—O1 | 77.05 (10) | Se1—O3—Br4 | 87.87 (15) |
Cu4—Br4—O1xx | 94.10 (9) | Se2—O4—Cu3 | 127.3 (4) |
Cu4vi—Br4—O1xx | 32.13 (9) | Se2—O4—Cu5 | 135.3 (4) |
Cu3viii—Br4—O1xx | 32.27 (9) | Cu3—O4—Cu5 | 97.4 (3) |
Cu3iii—Br4—O1xx | 154.34 (10) | Se2—O4—O2 | 176.0 (4) |
Cu6ix—Br4—O1xx | 89.79 (9) | Cu3—O4—O2 | 48.6 (2) |
Cu6—Br4—O1xx | 145.58 (9) | Cu5—O4—O2 | 48.7 (2) |
O3—Br4—O1xx | 65.32 (10) | Se2—O4—O8 | 39.86 (15) |
Cu1—Br4—O1xx | 77.05 (10) | Cu3—O4—O8 | 97.6 (2) |
O1—Br4—O1xx | 122.12 (18) | Cu5—O4—O8 | 147.13 (18) |
Cu4—Br4—O8iii | 33.94 (7) | O2—O4—O8 | 137.4 (2) |
Cu4vi—Br4—O8iii | 73.13 (7) | Se2—O4—O8vi | 39.86 (15) |
Cu3viii—Br4—O8iii | 123.54 (7) | Cu3—O4—O8vi | 97.6 (2) |
Cu3iii—Br4—O8iii | 61.72 (7) | Cu5—O4—O8vi | 147.13 (18) |
Cu6ix—Br4—O8iii | 141.79 (8) | O2—O4—O8vi | 137.4 (2) |
Cu6—Br4—O8iii | 107.40 (7) | O8—O4—O8vi | 58.1 (2) |
O3—Br4—O8iii | 41.60 (9) | Se2—O4—O1iii | 88.2 (3) |
Cu1—Br4—O8iii | 31.04 (6) | Cu3—O4—O1iii | 39.14 (17) |
O1—Br4—O8iii | 48.75 (12) | Cu5—O4—O1iii | 136.5 (3) |
O1xx—Br4—O8iii | 103.91 (12) | O2—O4—O1iii | 87.8 (3) |
Cu4—Br4—O8ix | 73.13 (7) | O8—O4—O1iii | 63.7 (2) |
Cu4vi—Br4—O8ix | 33.94 (7) | O8vi—O4—O1iii | 63.7 (2) |
Cu3viii—Br4—O8ix | 61.72 (7) | Se2—O4—Br3 | 94.2 (2) |
Cu3iii—Br4—O8ix | 123.54 (7) | Cu3—O4—Br3 | 138.5 (3) |
Cu6ix—Br4—O8ix | 107.40 (7) | Cu5—O4—Br3 | 41.12 (13) |
Cu6—Br4—O8ix | 141.79 (8) | O2—O4—Br3 | 89.9 (2) |
O3—Br4—O8ix | 41.60 (9) | O8—O4—Br3 | 118.2 (2) |
Cu1—Br4—O8ix | 31.04 (6) | O8vi—O4—Br3 | 118.2 (2) |
O1—Br4—O8ix | 103.91 (12) | O1iii—O4—Br3 | 177.6 (3) |
O1xx—Br4—O8ix | 48.75 (12) | Se2—O4—O9 | 136.0 (2) |
O8iii—Br4—O8ix | 61.87 (13) | Cu3—O4—O9 | 85.9 (2) |
O8ix—Cu1—O8iii | 151.1 (3) | Cu5—O4—O9 | 33.51 (10) |
O8ix—Cu1—O3 | 81.44 (14) | O2—O4—O9 | 46.73 (16) |
O8iii—Cu1—O3 | 81.44 (14) | O8—O4—O9 | 119.38 (11) |
O8ix—Cu1—Br2 | 99.30 (14) | O8vi—O4—O9 | 175.8 (2) |
O8iii—Cu1—Br2 | 99.30 (14) | O1iii—O4—O9 | 118.7 (2) |
O3—Cu1—Br2 | 176.2 (2) | Br3—O4—O9 | 59.37 (13) |
O8ix—Cu1—Cu4vi | 44.39 (13) | Se2—O4—O9vi | 136.0 (2) |
O8iii—Cu1—Cu4vi | 110.26 (14) | Cu3—O4—O9vi | 85.9 (2) |
O3—Cu1—Cu4vi | 40.84 (10) | Cu5—O4—O9vi | 33.51 (10) |
Br2—Cu1—Cu4vi | 141.12 (4) | O2—O4—O9vi | 46.73 (16) |
O8ix—Cu1—Cu4 | 110.26 (14) | O8—O4—O9vi | 175.8 (2) |
O8iii—Cu1—Cu4 | 44.39 (13) | O8vi—O4—O9vi | 119.38 (11) |
O3—Cu1—Cu4 | 40.84 (10) | O1iii—O4—O9vi | 118.7 (2) |
Br2—Cu1—Cu4 | 141.12 (4) | Br3—O4—O9vi | 59.37 (13) |
Cu4vi—Cu1—Cu4 | 66.43 (4) | O9—O4—O9vi | 62.92 (18) |
O8ix—Cu1—Br1 | 99.09 (15) | Se2—O4—Cu4ix | 70.13 (19) |
O8iii—Cu1—Br1 | 99.09 (15) | Cu3—O4—Cu4ix | 62.95 (16) |
O3—Cu1—Br1 | 75.87 (19) | Cu5—O4—Cu4ix | 145.74 (18) |
Br2—Cu1—Br1 | 100.34 (5) | O2—O4—Cu4ix | 106.3 (2) |
Cu4vi—Cu1—Br1 | 99.30 (4) | O8—O4—Cu4ix | 66.71 (17) |
Cu4—Cu1—Br1 | 99.30 (4) | O8vi—O4—Cu4ix | 34.68 (12) |
O8ix—Cu1—Cu7xiv | 114.34 (15) | O1iii—O4—Cu4ix | 32.70 (9) |
O8iii—Cu1—Cu7xiv | 94.54 (15) | Br3—O4—Cu4ix | 148.62 (12) |
O3—Cu1—Cu7xiv | 123.6 (2) | O9—O4—Cu4ix | 148.8 (2) |
Br2—Cu1—Cu7xiv | 52.66 (7) | O9vi—O4—Cu4ix | 113.34 (11) |
Cu4vi—Cu1—Cu7xiv | 143.53 (7) | Se2—O4—Cu4iii | 70.13 (19) |
Cu4—Cu1—Cu7xiv | 128.01 (6) | Cu3—O4—Cu4iii | 62.95 (16) |
Br1—Cu1—Cu7xiv | 49.10 (6) | Cu5—O4—Cu4iii | 145.74 (18) |
O8ix—Cu1—Cu7xiii | 94.54 (15) | O2—O4—Cu4iii | 106.3 (2) |
O8iii—Cu1—Cu7xiii | 114.34 (15) | O8—O4—Cu4iii | 34.68 (12) |
O3—Cu1—Cu7xiii | 123.6 (2) | O8vi—O4—Cu4iii | 66.71 (17) |
Br2—Cu1—Cu7xiii | 52.66 (7) | O1iii—O4—Cu4iii | 32.70 (9) |
Cu4vi—Cu1—Cu7xiii | 128.01 (6) | Br3—O4—Cu4iii | 148.62 (12) |
Cu4—Cu1—Cu7xiii | 143.53 (7) | O9—O4—Cu4iii | 113.34 (11) |
Br1—Cu1—Cu7xiii | 49.10 (6) | O9vi—O4—Cu4iii | 148.8 (2) |
Cu7xiv—Cu1—Cu7xiii | 19.80 (10) | Cu4ix—O4—Cu4iii | 52.18 (10) |
O8ix—Cu1—Cu2 | 88.41 (14) | Se1—O5—Cu2vii | 129.5 (4) |
O8iii—Cu1—Cu2 | 88.41 (14) | Se1—O5—Cu2 | 126.9 (4) |
O3—Cu1—Cu2 | 30.21 (19) | Cu2vii—O5—Cu2 | 103.6 (3) |
Br2—Cu1—Cu2 | 146.00 (6) | Se1—O5—O5vii | 177.6 (5) |
Cu4vi—Cu1—Cu2 | 61.70 (3) | Cu2vii—O5—O5vii | 52.9 (2) |
Cu4—Cu1—Cu2 | 61.70 (3) | Cu2—O5—O5vii | 50.7 (2) |
Br1—Cu1—Cu2 | 45.66 (3) | Se1—O5—O6vi | 39.40 (14) |
Cu7xiv—Cu1—Cu2 | 93.94 (7) | Cu2vii—O5—O6vi | 142.4 (2) |
Cu7xiii—Cu1—Cu2 | 93.94 (7) | Cu2—O5—O6vi | 98.7 (2) |
O8ix—Cu1—Se2viii | 22.18 (13) | O5vii—O5—O6vi | 139.1 (3) |
O8iii—Cu1—Se2viii | 154.08 (16) | Se1—O5—O6 | 39.40 (14) |
O3—Cu1—Se2viii | 103.48 (5) | Cu2vii—O5—O6 | 142.4 (2) |
Br2—Cu1—Se2viii | 77.48 (3) | Cu2—O5—O6 | 98.7 (2) |
Cu4vi—Cu1—Se2viii | 64.82 (3) | O5vii—O5—O6 | 139.1 (3) |
Cu4—Cu1—Se2viii | 127.38 (4) | O6vi—O5—O6 | 60.2 (2) |
Br1—Cu1—Se2viii | 106.80 (3) | Se1—O5—O3 | 85.7 (3) |
Cu7xiv—Cu1—Se2viii | 103.18 (6) | Cu2vii—O5—O3 | 144.8 (3) |
Cu7xiii—Cu1—Se2viii | 84.49 (6) | Cu2—O5—O3 | 41.19 (18) |
Cu2—Cu1—Se2viii | 108.78 (3) | O5vii—O5—O3 | 91.9 (4) |
O8ix—Cu1—Se2iii | 154.08 (16) | O6vi—O5—O3 | 63.48 (19) |
O8iii—Cu1—Se2iii | 22.18 (13) | O6—O5—O3 | 63.48 (19) |
O3—Cu1—Se2iii | 103.48 (5) | Se1—O5—Br1vii | 82.7 (2) |
Br2—Cu1—Se2iii | 77.48 (3) | Cu2vii—O5—Br1vii | 46.78 (15) |
Cu4vi—Cu1—Se2iii | 127.38 (4) | Cu2—O5—Br1vii | 150.4 (3) |
Cu4—Cu1—Se2iii | 64.82 (3) | O5vii—O5—Br1vii | 99.7 (3) |
Br1—Cu1—Se2iii | 106.80 (3) | O6vi—O5—Br1vii | 106.8 (2) |
Cu7xiv—Cu1—Se2iii | 84.49 (6) | O6—O5—Br1vii | 106.8 (2) |
Cu7xiii—Cu1—Se2iii | 103.18 (6) | O3—O5—Br1vii | 168.4 (3) |
Cu2—Cu1—Se2iii | 108.78 (3) | Se1—O5—Cu4vi | 68.52 (18) |
Se2viii—Cu1—Se2iii | 140.96 (5) | Cu2vii—O5—Cu4vi | 149.24 (14) |
O3—Cu2—O5vii | 170.5 (3) | Cu2—O5—Cu4vi | 64.54 (16) |
O3—Cu2—O5 | 94.1 (3) | O5vii—O5—Cu4vi | 109.4 (3) |
O5vii—Cu2—O5 | 76.4 (3) | O6vi—O5—Cu4vi | 34.21 (12) |
O3—Cu2—Br1 | 91.8 (2) | O6—O5—Cu4vi | 68.23 (16) |
O5vii—Cu2—Br1 | 97.7 (2) | O3—O5—Cu4vi | 33.16 (9) |
O5—Cu2—Br1 | 174.09 (19) | Br1vii—O5—Cu4vi | 139.37 (16) |
O3—Cu2—Cu2vii | 131.6 (2) | Se1—O5—Cu4 | 68.52 (18) |
O5vii—Cu2—Cu2vii | 38.85 (19) | Cu2vii—O5—Cu4 | 149.24 (14) |
O5—Cu2—Cu2vii | 37.52 (19) | Cu2—O5—Cu4 | 64.54 (16) |
Br1—Cu2—Cu2vii | 136.57 (7) | O5vii—O5—Cu4 | 109.4 (3) |
O3—Cu2—Br5A | 85.99 (5) | O6vi—O5—Cu4 | 68.23 (16) |
O5vii—Cu2—Br5A | 93.97 (5) | O6—O5—Cu4 | 34.21 (12) |
O5—Cu2—Br5A | 90.36 (5) | O3—O5—Cu4 | 33.16 (9) |
Br1—Cu2—Br5A | 90.05 (5) | Br1vii—O5—Cu4 | 139.37 (16) |
Cu2vii—Cu2—Br5A | 92.72 (5) | Cu4vi—O5—Cu4 | 54.11 (10) |
O3—Cu2—Br5Axx | 85.99 (5) | Se1—O5—Br5Bxxi | 109.5 (3) |
O5vii—Cu2—Br5Axx | 93.97 (5) | Cu2vii—O5—Br5Bxxi | 61.9 (2) |
O5—Cu2—Br5Axx | 90.36 (5) | Cu2—O5—Br5Bxxi | 94.0 (3) |
Br1—Cu2—Br5Axx | 90.05 (5) | O5vii—O5—Br5Bxxi | 71.4 (3) |
Cu2vii—Cu2—Br5Axx | 92.72 (5) | O6vi—O5—Br5Bxxi | 146.1 (3) |
Br5A—Cu2—Br5Axx | 171.98 (9) | O6—O5—Br5Bxxi | 87.0 (2) |
O3—Cu2—Br5B | 94.4 (2) | O3—O5—Br5Bxxi | 111.1 (2) |
O5vii—Cu2—Br5B | 85.1 (2) | Br1vii—O5—Br5Bxxi | 73.0 (2) |
O5—Cu2—Br5B | 86.1 (3) | Cu4vi—O5—Br5Bxxi | 142.7 (2) |
Br1—Cu2—Br5B | 93.4 (3) | Cu4—O5—Br5Bxxi | 89.69 (19) |
Cu2vii—Cu2—Br5B | 84.4 (2) | Se1—O5—Br5Bvii | 109.5 (3) |
Br5A—Cu2—Br5B | 9.1 (2) | Cu2vii—O5—Br5Bvii | 61.9 (2) |
Br5Axx—Cu2—Br5B | 176.5 (2) | Cu2—O5—Br5Bvii | 94.0 (3) |
O3—Cu2—Br5Bxx | 94.4 (2) | O5vii—O5—Br5Bvii | 71.4 (3) |
O5vii—Cu2—Br5Bxx | 85.1 (2) | O6vi—O5—Br5Bvii | 87.0 (2) |
O5—Cu2—Br5Bxx | 86.1 (3) | O6—O5—Br5Bvii | 146.1 (3) |
Br1—Cu2—Br5Bxx | 93.4 (3) | O3—O5—Br5Bvii | 111.1 (2) |
Cu2vii—Cu2—Br5Bxx | 84.4 (2) | Br1vii—O5—Br5Bvii | 73.0 (2) |
Br5A—Cu2—Br5Bxx | 176.5 (2) | Cu4vi—O5—Br5Bvii | 89.69 (19) |
Br5Axx—Cu2—Br5Bxx | 9.1 (2) | Cu4—O5—Br5Bvii | 142.7 (2) |
Br5B—Cu2—Br5Bxx | 168.7 (5) | Br5Bxxi—O5—Br5Bvii | 123.5 (4) |
O3—Cu2—Cu4vi | 32.95 (8) | Se1—O6—Cu4 | 125.8 (2) |
O5vii—Cu2—Cu4vi | 142.28 (12) | Se1—O6—Pb1 | 135.1 (2) |
O5—Cu2—Cu4vi | 80.80 (16) | Cu4—O6—Pb1 | 97.99 (16) |
Br1—Cu2—Cu4vi | 104.29 (4) | Se1—O6—O5 | 40.22 (15) |
Cu2vii—Cu2—Cu4vi | 113.11 (5) | Cu4—O6—O5 | 97.1 (2) |
Br5A—Cu2—Cu4vi | 115.96 (5) | Pb1—O6—O5 | 154.6 (2) |
Br5Axx—Cu2—Cu4vi | 56.33 (4) | Se1—O6—O1 | 171.3 (3) |
Br5B—Cu2—Cu4vi | 123.0 (3) | Cu4—O6—O1 | 46.00 (15) |
Br5Bxx—Cu2—Cu4vi | 63.6 (2) | Pb1—O6—O1 | 52.31 (15) |
O3—Cu2—Cu4 | 32.95 (8) | O5—O6—O1 | 136.3 (3) |
O5vii—Cu2—Cu4 | 142.28 (12) | Se1—O6—O6vi | 39.02 (15) |
O5—Cu2—Cu4 | 80.80 (16) | Cu4—O6—O6vi | 97.66 (12) |
Br1—Cu2—Cu4 | 104.29 (4) | Pb1—O6—O6vi | 137.19 (10) |
Cu2vii—Cu2—Cu4 | 113.11 (5) | O5—O6—O6vi | 59.91 (11) |
Br5A—Cu2—Cu4 | 56.33 (4) | O1—O6—O6vi | 133.37 (13) |
Br5Axx—Cu2—Cu4 | 115.96 (5) | Se1—O6—O3 | 84.80 (18) |
Br5B—Cu2—Cu4 | 63.6 (2) | Cu4—O6—O3 | 41.01 (12) |
Br5Bxx—Cu2—Cu4 | 123.0 (3) | Pb1—O6—O3 | 138.3 (2) |
Cu4vi—Cu2—Cu4 | 59.64 (4) | O5—O6—O3 | 61.8 (2) |
O3—Cu2—Cu1 | 31.44 (19) | O1—O6—O3 | 86.98 (19) |
O5vii—Cu2—Cu1 | 158.1 (2) | O6vi—O6—O3 | 62.78 (10) |
O5—Cu2—Cu1 | 125.54 (19) | Se1—O6—Cu4vi | 68.08 (13) |
Br1—Cu2—Cu1 | 60.38 (4) | Cu4—O6—Cu4vi | 63.71 (11) |
Cu2vii—Cu2—Cu1 | 163.06 (7) | Pb1—O6—Cu4vi | 137.90 (16) |
Br5A—Cu2—Cu1 | 86.54 (5) | O5—O6—Cu4vi | 67.45 (14) |
Br5Axx—Cu2—Cu1 | 86.54 (5) | O1—O6—Cu4vi | 103.29 (16) |
Br5B—Cu2—Cu1 | 95.6 (2) | O6vi—O6—Cu4vi | 33.95 (7) |
Br5Bxx—Cu2—Cu1 | 95.6 (2) | O3—O6—Cu4vi | 32.96 (8) |
Cu4vi—Cu2—Cu1 | 53.06 (3) | Se1—O6—Br2ii | 85.21 (16) |
Cu4—Cu2—Cu1 | 53.06 (3) | Cu4—O6—Br2ii | 139.20 (18) |
O2—Cu3—O1iii | 178.0 (3) | Pb1—O6—Br2ii | 63.18 (9) |
O2—Cu3—O7iii | 95.8 (3) | O5—O6—Br2ii | 92.22 (17) |
O1iii—Cu3—O7iii | 86.1 (3) | O1—O6—Br2ii | 103.40 (16) |
O2—Cu3—O4 | 78.6 (3) | O6vi—O6—Br2ii | 121.06 (7) |
O1iii—Cu3—O4 | 99.5 (3) | O3—O6—Br2ii | 148.7 (2) |
O7iii—Cu3—O4 | 174.4 (3) | Cu4vi—O6—Br2ii | 153.29 (13) |
O2—Cu3—Cu5 | 36.46 (19) | Se1—O6—Br3iv | 76.67 (15) |
O1iii—Cu3—Cu5 | 141.55 (19) | Cu4—O6—Br3iv | 124.04 (18) |
O7iii—Cu3—Cu5 | 132.30 (19) | Pb1—O6—Br3iv | 70.10 (11) |
O4—Cu3—Cu5 | 42.09 (19) | O5—O6—Br3iv | 116.72 (17) |
O2—Cu3—Br4viii | 93.30 (3) | O1—O6—Br3iv | 105.21 (19) |
O1iii—Cu3—Br4viii | 86.66 (3) | O6vi—O6—Br3iv | 68.10 (7) |
O7iii—Cu3—Br4viii | 90.78 (3) | O3—O6—Br3iv | 120.86 (16) |
O4—Cu3—Br4viii | 89.55 (3) | Cu4vi—O6—Br3iv | 88.73 (10) |
Cu5—Cu3—Br4viii | 91.99 (3) | Br2ii—O6—Br3iv | 85.25 (10) |
O2—Cu3—Br4iii | 93.30 (3) | Se1—O6—Cu2 | 69.19 (14) |
O1iii—Cu3—Br4iii | 86.66 (3) | Cu4—O6—Cu2 | 63.14 (12) |
O7iii—Cu3—Br4iii | 90.78 (3) | Pb1—O6—Cu2 | 152.76 (16) |
O4—Cu3—Br4iii | 89.55 (3) | O5—O6—Cu2 | 34.00 (15) |
Cu5—Cu3—Br4iii | 91.99 (3) | O1—O6—Cu2 | 104.91 (19) |
Br4viii—Cu3—Br4iii | 173.02 (6) | O6vi—O6—Cu2 | 68.13 (7) |
O2—Cu3—Cu6 | 33.36 (8) | O3—O6—Cu2 | 31.91 (13) |
O1iii—Cu3—Cu6 | 147.43 (7) | Cu4vi—O6—Cu2 | 53.73 (7) |
O7iii—Cu3—Cu6 | 81.61 (16) | Br2ii—O6—Cu2 | 117.33 (12) |
O4—Cu3—Cu6 | 93.54 (17) | Br3iv—O6—Cu2 | 136.22 (12) |
Cu5—Cu3—Cu6 | 57.74 (3) | Se1—O6—O6i | 140.98 (15) |
Br4viii—Cu3—Cu6 | 123.39 (4) | Cu4—O6—O6i | 82.34 (12) |
Br4iii—Cu3—Cu6 | 63.58 (2) | Pb1—O6—O6i | 42.81 (10) |
O2—Cu3—Cu6ix | 33.36 (8) | O5—O6—O6i | 120.09 (11) |
O1iii—Cu3—Cu6ix | 147.43 (7) | O1—O6—O6i | 46.63 (13) |
O7iii—Cu3—Cu6ix | 81.61 (16) | O6vi—O6—O6i | 180.0 |
O4—Cu3—Cu6ix | 93.54 (17) | O3—O6—O6i | 117.22 (10) |
Cu5—Cu3—Cu6ix | 57.74 (3) | Cu4vi—O6—O6i | 146.05 (7) |
Br4viii—Cu3—Cu6ix | 63.58 (2) | Br2ii—O6—O6i | 58.94 (7) |
Br4iii—Cu3—Cu6ix | 123.39 (4) | Br3iv—O6—O6i | 111.91 (7) |
Cu6—Cu3—Cu6ix | 59.81 (3) | Cu2—O6—O6i | 111.87 (7) |
O2—Cu3—Cu4ix | 145.09 (10) | Se3—O7—Cu3iii | 125.9 (4) |
O1iii—Cu3—Cu4ix | 33.92 (9) | Se3—O7—Pb1 | 136.8 (3) |
O7iii—Cu3—Cu4ix | 102.19 (17) | Cu3iii—O7—Pb1 | 97.3 (3) |
O4—Cu3—Cu4ix | 82.68 (17) | Se3—O7—O9 | 39.11 (15) |
Cu5—Cu3—Cu4ix | 118.92 (4) | Cu3iii—O7—O9 | 98.2 (2) |
Br4viii—Cu3—Cu4ix | 57.19 (3) | Pb1—O7—O9 | 146.07 (17) |
Br4iii—Cu3—Cu4ix | 115.84 (4) | Se3—O7—O9i | 39.11 (15) |
Cu6—Cu3—Cu4ix | 176.20 (4) | Cu3iii—O7—O9i | 98.2 (2) |
Cu6ix—Cu3—Cu4ix | 120.63 (2) | Pb1—O7—O9i | 146.07 (17) |
O2—Cu3—Cu4iii | 145.09 (10) | O9—O7—O9i | 59.9 (2) |
O1iii—Cu3—Cu4iii | 33.92 (9) | Se3—O7—O1 | 171.5 (4) |
O7iii—Cu3—Cu4iii | 102.19 (17) | Cu3iii—O7—O1 | 45.59 (19) |
O4—Cu3—Cu4iii | 82.68 (17) | Pb1—O7—O1 | 51.70 (18) |
Cu5—Cu3—Cu4iii | 118.92 (4) | O9—O7—O1 | 135.3 (2) |
Br4viii—Cu3—Cu4iii | 115.84 (4) | O9i—O7—O1 | 135.3 (2) |
Br4iii—Cu3—Cu4iii | 57.19 (3) | Se3—O7—O2iii | 85.3 (3) |
Cu6—Cu3—Cu4iii | 120.63 (2) | Cu3iii—O7—O2iii | 40.62 (17) |
Cu6ix—Cu3—Cu4iii | 176.20 (4) | Pb1—O7—O2iii | 137.9 (3) |
Cu4ix—Cu3—Cu4iii | 58.65 (4) | O9—O7—O2iii | 63.4 (2) |
O2—Cu3—Se3iii | 71.2 (2) | O9i—O7—O2iii | 63.4 (2) |
O1iii—Cu3—Se3iii | 110.75 (19) | O1—O7—O2iii | 86.2 (3) |
O7iii—Cu3—Se3iii | 24.61 (19) | Se3—O7—Cu6 | 68.51 (18) |
O4—Cu3—Se3iii | 149.79 (19) | Cu3iii—O7—Cu6 | 63.62 (15) |
Cu5—Cu3—Se3iii | 107.69 (5) | Pb1—O7—Cu6 | 145.47 (15) |
Br4viii—Cu3—Se3iii | 92.13 (3) | O9—O7—Cu6 | 34.57 (12) |
Br4iii—Cu3—Se3iii | 92.13 (3) | O9i—O7—Cu6 | 68.12 (17) |
Cu6—Cu3—Se3iii | 60.76 (3) | O1—O7—Cu6 | 104.0 (2) |
Cu6ix—Cu3—Se3iii | 60.76 (3) | O2iii—O7—Cu6 | 32.75 (9) |
Cu4ix—Cu3—Se3iii | 122.97 (4) | Se3—O7—Cu6xi | 68.51 (18) |
Cu4iii—Cu3—Se3iii | 122.97 (4) | Cu3iii—O7—Cu6xi | 63.62 (15) |
O1—Cu4—O3 | 176.6 (3) | Pb1—O7—Cu6xi | 145.47 (15) |
O1—Cu4—O6 | 85.8 (2) | O9—O7—Cu6xi | 68.12 (17) |
O3—Cu4—O6 | 96.2 (2) | O9i—O7—Cu6xi | 34.57 (12) |
O1—Cu4—O8iii | 98.4 (2) | O1—O7—Cu6xi | 104.0 (2) |
O3—Cu4—O8iii | 79.9 (2) | O2iii—O7—Cu6xi | 32.75 (9) |
O6—Cu4—O8iii | 171.59 (19) | Cu6—O7—Cu6xi | 53.68 (9) |
O1—Cu4—Cu1 | 135.45 (19) | Se3—O7—Br4xii | 111.11 (15) |
O3—Cu4—Cu1 | 41.91 (19) | Cu3iii—O7—Br4xii | 56.94 (8) |
O6—Cu4—Cu1 | 136.72 (12) | Pb1—O7—Br4xii | 91.14 (13) |
O8iii—Cu4—Cu1 | 41.70 (11) | O9—O7—Br4xii | 122.5 (2) |
O1—Cu4—Br5A | 92.45 (16) | O9i—O7—Br4xii | 72.70 (12) |
O3—Cu4—Br5A | 90.12 (16) | O1—O7—Br4xii | 65.34 (11) |
O6—Cu4—Br5A | 92.28 (14) | O2iii—O7—Br4xii | 67.56 (11) |
O8iii—Cu4—Br5A | 80.32 (14) | Cu6—O7—Br4xii | 100.01 (14) |
Cu1—Cu4—Br5A | 97.12 (5) | Cu6xi—O7—Br4xii | 54.43 (6) |
O1—Cu4—Br4 | 90.44 (17) | Se3—O7—Br4 | 111.11 (15) |
O3—Cu4—Br4 | 86.66 (17) | Cu3iii—O7—Br4 | 56.94 (8) |
O6—Cu4—Br4 | 97.44 (13) | Pb1—O7—Br4 | 91.14 (13) |
O8iii—Cu4—Br4 | 89.83 (13) | O9—O7—Br4 | 72.70 (12) |
Cu1—Cu4—Br4 | 74.26 (4) | O9i—O7—Br4 | 122.5 (2) |
Br5A—Cu4—Br4 | 170.04 (6) | O1—O7—Br4 | 65.34 (11) |
O1—Cu4—Cu4i | 35.51 (16) | O2iii—O7—Br4 | 67.56 (11) |
O3—Cu4—Cu4i | 146.20 (16) | Cu6—O7—Br4 | 54.43 (6) |
O6—Cu4—Cu4i | 97.66 (12) | Cu6xi—O7—Br4 | 100.01 (14) |
O8iii—Cu4—Cu4i | 81.98 (11) | Br4xii—O7—Br4 | 113.57 (16) |
Cu1—Cu4—Cu4i | 123.22 (2) | Se3—O7—O4iii | 123.1 (3) |
Br5A—Cu4—Cu4i | 58.71 (3) | Cu3iii—O7—O4iii | 2.81 (14) |
Br4—Cu4—Cu4i | 121.647 (19) | Pb1—O7—O4iii | 100.1 (2) |
O1—Cu4—Cu3iii | 34.13 (18) | O9—O7—O4iii | 95.8 (2) |
O3—Cu4—Cu3iii | 142.51 (18) | O9i—O7—O4iii | 95.8 (2) |
O6—Cu4—Cu3iii | 105.71 (13) | O1—O7—O4iii | 48.39 (19) |
O8iii—Cu4—Cu3iii | 81.51 (13) | O2iii—O7—O4iii | 37.82 (17) |
Cu1—Cu4—Cu3iii | 106.49 (4) | Cu6—O7—O4iii | 61.20 (13) |
Br5A—Cu4—Cu3iii | 118.37 (4) | Cu6xi—O7—O4iii | 61.20 (13) |
Br4—Cu4—Cu3iii | 60.97 (3) | Br4xii—O7—O4iii | 57.15 (8) |
Cu4i—Cu4—Cu3iii | 60.676 (19) | Br4—O7—O4iii | 57.15 (8) |
O1—Cu4—Cu4vi | 144.49 (16) | Se2—O8—Cu1iii | 132.5 (3) |
O3—Cu4—Cu4vi | 33.80 (16) | Se2—O8—Cu4iii | 127.7 (2) |
O6—Cu4—Cu4vi | 82.34 (12) | Cu1iii—O8—Cu4iii | 93.91 (17) |
O8iii—Cu4—Cu4vi | 98.02 (11) | Se2—O8—O3iii | 174.6 (3) |
Cu1—Cu4—Cu4vi | 56.78 (2) | Cu1iii—O8—O3iii | 49.61 (15) |
Br5A—Cu4—Cu4vi | 121.28 (3) | Cu4iii—O8—O3iii | 47.93 (15) |
Br4—Cu4—Cu4vi | 58.354 (19) | Se2—O8—O8vi | 41.92 (15) |
Cu4i—Cu4—Cu4vi | 180.0 | Cu1iii—O8—O8vi | 165.55 (14) |
Cu3iii—Cu4—Cu4vi | 119.325 (19) | Cu4iii—O8—O8vi | 98.02 (11) |
O1—Cu4—Cu2 | 150.83 (18) | O3iii—O8—O8vi | 137.60 (14) |
O3—Cu4—Cu2 | 32.41 (17) | Se2—O8—O4 | 39.38 (15) |
O6—Cu4—Cu2 | 83.32 (13) | Cu1iii—O8—O4 | 125.3 (2) |
O8iii—Cu4—Cu2 | 89.56 (13) | Cu4iii—O8—O4 | 98.2 (2) |
Cu1—Cu4—Cu2 | 65.24 (4) | O3iii—O8—O4 | 135.4 (3) |
Br5A—Cu4—Cu2 | 61.12 (3) | O8vi—O8—O4 | 60.96 (11) |
Br4—Cu4—Cu2 | 117.75 (3) | Se2—O8—O1iii | 88.42 (18) |
Cu4i—Cu4—Cu2 | 119.820 (19) | Cu1iii—O8—O1iii | 129.2 (2) |
Cu3iii—Cu4—Cu2 | 170.93 (4) | Cu4iii—O8—O1iii | 39.27 (11) |
Cu4vi—Cu4—Cu2 | 60.178 (19) | O3iii—O8—O1iii | 87.17 (19) |
O1—Cu4—Se1 | 110.71 (18) | O8vi—O8—O1iii | 64.80 (9) |
O3—Cu4—Se1 | 71.29 (18) | O4—O8—O1iii | 64.4 (2) |
O6—Cu4—Se1 | 24.93 (12) | Se2—O8—Br2iii | 87.77 (17) |
O8iii—Cu4—Se1 | 150.40 (12) | Cu1iii—O8—Br2iii | 45.27 (10) |
Cu1—Cu4—Se1 | 112.13 (3) | Cu4iii—O8—Br2iii | 136.77 (16) |
Br5A—Cu4—Se1 | 92.77 (5) | O3iii—O8—Br2iii | 94.80 (16) |
Br4—Cu4—Se1 | 95.12 (3) | O8vi—O8—Br2iii | 124.67 (7) |
Cu4i—Cu4—Se1 | 118.950 (17) | O4—O8—Br2iii | 97.20 (18) |
Cu3iii—Cu4—Se1 | 126.12 (4) | O1iii—O8—Br2iii | 153.5 (2) |
Cu4vi—Cu4—Se1 | 61.050 (17) | Se2—O8—Br5Aiii | 107.99 (17) |
Cu2—Cu4—Se1 | 62.35 (3) | Cu1iii—O8—Br5Aiii | 111.61 (19) |
O2—Cu5—O4 | 76.6 (3) | Cu4iii—O8—Br5Aiii | 62.61 (12) |
O2—Cu5—O9 | 78.57 (16) | O3iii—O8—Br5Aiii | 73.33 (16) |
O4—Cu5—O9 | 113.62 (14) | O8vi—O8—Br5Aiii | 67.52 (7) |
O2—Cu5—O9vi | 78.57 (16) | O4—O8—Br5Aiii | 121.30 (17) |
O4—Cu5—O9vi | 113.62 (15) | O1iii—O8—Br5Aiii | 69.78 (15) |
O9—Cu5—O9vi | 120.0 (3) | Br2iii—O8—Br5Aiii | 135.99 (15) |
O2—Cu5—Br3 | 180.0 (2) | Se2—O8—Cu7iii | 100.97 (19) |
O4—Cu5—Br3 | 103.42 (19) | Cu1iii—O8—Cu7iii | 92.67 (17) |
O9—Cu5—Br3 | 101.41 (13) | Cu4iii—O8—Cu7iii | 98.81 (17) |
O9vi—Cu5—Br3 | 101.41 (13) | O3iii—O8—Cu7iii | 83.45 (19) |
O2—Cu5—Cu6ix | 37.31 (10) | O8vi—O8—Cu7iii | 77.51 (8) |
O4—Cu5—Cu6ix | 96.56 (16) | O4—O8—Cu7iii | 136.82 (17) |
O9—Cu5—Cu6ix | 98.88 (13) | O1iii—O8—Cu7iii | 109.49 (18) |
O9vi—Cu5—Cu6ix | 41.30 (13) | Br2iii—O8—Cu7iii | 96.97 (13) |
Br3—Cu5—Cu6ix | 142.67 (3) | Br5Aiii—O8—Cu7iii | 40.62 (8) |
O2—Cu5—Cu6 | 37.31 (10) | Se2—O8—Cu4ix | 72.01 (13) |
O4—Cu5—Cu6 | 96.56 (16) | Cu1iii—O8—Cu4ix | 155.2 (2) |
O9—Cu5—Cu6 | 41.30 (13) | Cu4iii—O8—Cu4ix | 62.57 (11) |
O9vi—Cu5—Cu6 | 98.88 (13) | O3iii—O8—Cu4ix | 105.63 (18) |
Br3—Cu5—Cu6 | 142.67 (3) | O8vi—O8—Cu4ix | 35.46 (7) |
Cu6ix—Cu5—Cu6 | 63.05 (3) | O4—O8—Cu4ix | 69.40 (14) |
O2—Cu5—Cu3 | 36.1 (2) | O1iii—O8—Cu4ix | 33.36 (8) |
O4—Cu5—Cu3 | 40.53 (18) | Br2iii—O8—Cu4ix | 159.51 (14) |
O9—Cu5—Cu3 | 96.33 (13) | Br5Aiii—O8—Cu4ix | 52.25 (7) |
O9vi—Cu5—Cu3 | 96.33 (13) | Cu7iii—O8—Cu4ix | 84.02 (11) |
Br3—Cu5—Cu3 | 143.95 (6) | Se2—O8—Cu3 | 69.55 (15) |
Cu6ix—Cu5—Cu3 | 62.48 (3) | Cu1iii—O8—Cu3 | 124.42 (19) |
Cu6—Cu5—Cu3 | 62.48 (3) | Cu4iii—O8—Cu3 | 63.53 (12) |
O2—Cu5—Se2 | 96.6 (2) | O3iii—O8—Cu3 | 105.1 (2) |
O4—Cu5—Se2 | 19.96 (18) | O8vi—O8—Cu3 | 68.75 (7) |
O9—Cu5—Se2 | 118.60 (13) | O4—O8—Cu3 | 34.65 (15) |
O9vi—Cu5—Se2 | 118.60 (13) | O1iii—O8—Cu3 | 33.18 (13) |
Br3—Cu5—Se2 | 83.46 (5) | Br2iii—O8—Cu3 | 122.30 (14) |
Cu6ix—Cu5—Se2 | 113.31 (4) | Br5Aiii—O8—Cu3 | 101.68 (12) |
Cu6—Cu5—Se2 | 113.31 (4) | Cu7iii—O8—Cu3 | 138.14 (14) |
Cu3—Cu5—Se2 | 60.48 (4) | Cu4ix—O8—Cu3 | 54.13 (7) |
O2—Cu5—Se3 | 95.82 (10) | Se3—O9—Cu6 | 124.6 (2) |
O4—Cu5—Se3 | 118.97 (2) | Se3—O9—Cu5 | 141.1 (3) |
O9—Cu5—Se3 | 17.26 (13) | Cu6—O9—Cu5 | 94.20 (18) |
O9vi—Cu5—Se3 | 124.07 (14) | Se3—O9—O2 | 171.6 (3) |
Br3—Cu5—Se3 | 84.16 (3) | Cu6—O9—O2 | 46.99 (15) |
Cu6ix—Cu5—Se3 | 113.13 (4) | Cu5—O9—O2 | 47.25 (15) |
Cu6—Cu5—Se3 | 58.53 (2) | Se3—O9—O9i | 39.22 (16) |
Cu3—Cu5—Se3 | 111.16 (3) | Cu6—O9—O9i | 97.44 (12) |
Se2—Cu5—Se3 | 117.33 (2) | Cu5—O9—O9i | 150.00 (13) |
O2—Cu5—Se3xx | 95.82 (10) | O2—O9—O9i | 135.76 (14) |
O4—Cu5—Se3xx | 118.97 (2) | Se3—O9—O7 | 39.13 (15) |
O9—Cu5—Se3xx | 124.07 (14) | Cu6—O9—O7 | 96.8 (2) |
O9vi—Cu5—Se3xx | 17.26 (13) | Cu5—O9—O7 | 145.4 (2) |
Br3—Cu5—Se3xx | 84.16 (3) | O2—O9—O7 | 134.9 (3) |
Cu6ix—Cu5—Se3xx | 58.53 (2) | O9i—O9—O7 | 60.06 (12) |
Cu6—Cu5—Se3xx | 113.13 (4) | Se3—O9—O2iii | 84.79 (19) |
Cu3—Cu5—Se3xx | 111.16 (3) | Cu6—O9—O2iii | 39.86 (12) |
Se2—Cu5—Se3xx | 117.33 (2) | Cu5—O9—O2iii | 134.0 (2) |
Se3—Cu5—Se3xx | 122.04 (5) | O2—O9—O2iii | 86.84 (17) |
O2—Cu5—Br4viii | 56.38 (11) | O9i—O9—O2iii | 63.19 (10) |
O4—Cu5—Br4viii | 55.73 (10) | O7—O9—O2iii | 62.8 (2) |
O9—Cu5—Br4viii | 134.74 (13) | Se3—O9—Br3 | 99.24 (19) |
O9vi—Cu5—Br4viii | 59.15 (13) | Cu6—O9—Br3 | 135.97 (18) |
Br3—Cu5—Br4viii | 123.64 (3) | Cu5—O9—Br3 | 41.82 (9) |
Cu6ix—Cu5—Br4viii | 47.89 (2) | O2—O9—Br3 | 89.08 (17) |
Cu6—Cu5—Br4viii | 93.68 (4) | O9i—O9—Br3 | 121.93 (7) |
Cu3—Cu5—Br4viii | 44.698 (18) | O7—O9—Br3 | 118.7 (2) |
Se2—Cu5—Br4viii | 67.62 (3) | O2iii—O9—Br3 | 174.87 (17) |
Se3—Cu5—Br4viii | 151.95 (4) | Se3—O9—Cu6xi | 68.09 (14) |
Se3xx—Cu5—Br4viii | 69.72 (3) | Cu6—O9—Cu6xi | 63.09 (11) |
O2iii—Cu6—O2 | 180.0 (4) | Cu5—O9—Cu6xi | 145.1 (2) |
O2iii—Cu6—O9iii | 82.5 (2) | O2—O9—Cu6xi | 104.84 (18) |
O2—Cu6—O9iii | 97.5 (2) | O9i—O9—Cu6xi | 34.35 (7) |
O2iii—Cu6—O9 | 97.5 (2) | O7—O9—Cu6xi | 67.55 (14) |
O2—Cu6—O9 | 82.5 (2) | O2iii—O9—Cu6xi | 32.60 (9) |
O9iii—Cu6—O9 | 180.0 | Br3—O9—Cu6xi | 152.22 (15) |
O2iii—Cu6—Cu5 | 141.99 (19) | Se3—O9—O4 | 141.3 (2) |
O2—Cu6—Cu5 | 38.01 (19) | Cu6—O9—O4 | 83.94 (18) |
O9iii—Cu6—Cu5 | 135.50 (12) | Cu5—O9—O4 | 32.86 (11) |
O9—Cu6—Cu5 | 44.50 (12) | O2—O9—O4 | 44.93 (19) |
O2iii—Cu6—Cu5iii | 38.01 (19) | O9i—O9—O4 | 121.46 (9) |
O2—Cu6—Cu5iii | 141.99 (19) | O7—O9—O4 | 178.3 (2) |
O9iii—Cu6—Cu5iii | 44.50 (12) | O2iii—O9—O4 | 118.4 (2) |
O9—Cu6—Cu5iii | 135.50 (12) | Br3—O9—O4 | 59.96 (13) |
Cu5—Cu6—Cu5iii | 180.0 | Cu6xi—O9—O4 | 114.16 (15) |
O2iii—Cu6—Cu6xi | 33.44 (16) | Se3—O9—Cu3iii | 68.24 (15) |
O2—Cu6—Cu6xi | 146.56 (16) | Cu6—O9—Cu3iii | 62.52 (12) |
O9iii—Cu6—Cu6xi | 97.45 (12) | Cu5—O9—Cu3iii | 140.97 (19) |
O9—Cu6—Cu6xi | 82.55 (12) | O2—O9—Cu3iii | 104.1 (2) |
Cu5—Cu6—Cu6xi | 121.527 (15) | O9i—O9—Cu3iii | 68.15 (7) |
Cu5iii—Cu6—Cu6xi | 58.474 (15) | O7—O9—Cu3iii | 34.24 (15) |
O2iii—Cu6—Cu6ix | 146.56 (16) | O2iii—O9—Cu3iii | 32.48 (14) |
O2—Cu6—Cu6ix | 33.44 (16) | Br3—O9—Cu3iii | 146.76 (15) |
O9iii—Cu6—Cu6ix | 82.55 (12) | Cu6xi—O9—Cu3iii | 53.32 (7) |
O9—Cu6—Cu6ix | 97.45 (12) | O4—O9—Cu3iii | 146.42 (18) |
Cu5—Cu6—Cu6ix | 58.473 (15) | Se3—O9—O9vi | 140.78 (16) |
Cu5iii—Cu6—Cu6ix | 121.526 (15) | Cu6—O9—O9vi | 82.55 (12) |
Cu6xi—Cu6—Cu6ix | 180.0 | Cu5—O9—O9vi | 30.00 (13) |
O2iii—Cu6—Cu3iii | 33.63 (18) | O2—O9—O9vi | 44.24 (14) |
O2—Cu6—Cu3iii | 146.37 (18) | O9i—O9—O9vi | 180.0 |
O9iii—Cu6—Cu3iii | 96.56 (14) | O7—O9—O9vi | 119.94 (12) |
O9—Cu6—Cu3iii | 83.44 (14) | O2iii—O9—O9vi | 116.81 (10) |
Cu5—Cu6—Cu3iii | 120.22 (3) | Br3—O9—O9vi | 58.08 (7) |
Cu5iii—Cu6—Cu3iii | 59.78 (3) | Cu6xi—O9—O9vi | 145.65 (7) |
Cu6xi—Cu6—Cu3iii | 60.094 (14) | O4—O9—O9vi | 58.54 (9) |
Cu6ix—Cu6—Cu3iii | 119.906 (14) | Cu3iii—O9—O9vi | 111.85 (7) |
Symmetry codes: (i) x, −y, z; (ii) x+1/2, y+1/2, z; (iii) −x−1/2, −y−1/2, −z; (iv) −x, −y−1, −z; (v) −x, −y, −z; (vi) x, −y−1, z; (vii) −x, −y−1, −z+1; (viii) −x−1/2, −y−3/2, −z; (ix) −x−1/2, y−1/2, −z; (x) x, y, z−1; (xi) −x−1/2, y+1/2, −z; (xii) x, y+1, z; (xiii) −x−1/2, y−1/2, −z+1; (xiv) −x−1/2, −y−1/2, −z+1; (xv) x, y, z+1; (xvi) x, −y−1, z+1; (xvii) x−1/2, y−1/2, z; (xviii) x−1/2, −y−1/2, z; (xix) −x, y, −z; (xx) x, y−1, z; (xxi) −x, −y, −z+1. |
Br1.83Cu3.17O5.33Pb0.67Se1.33 | F(000) = 3584 |
Mr = 676.45 | Dx = 5.097 Mg m−3 |
Monoclinic, C2/m | Mo Kα radiation, λ = 0.71073 Å |
a = 38.0763 (16) Å | Cell parameters from 2472 reflections |
b = 6.2308 (3) Å | θ = 1.1–32.3° |
c = 11.1897 (5) Å | µ = 34.03 mm−1 |
β = 94.955 (3)° | T = 296 K |
V = 2644.8 (2) Å3 | Prism |
Z = 12 |
Bruker Apex 2 Duo diffractometer | θmax = 32.3°, θmin = 1.1° |
18960 measured reflections | h = −56→56 |
5049 independent reflections | k = −9→9 |
3582 reflections with I > 2σ(I) | l = −15→16 |
Rint = 0.064 |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0381P)2 + 8.7233P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.041 | (Δ/σ)max < 0.001 |
wR(F2) = 0.093 | Δρmax = 4.11 e Å−3 |
S = 1.00 | Δρmin = −3.54 e Å−3 |
5049 reflections | Extinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
214 parameters | Extinction coefficient: 0.000085 (15) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Pb1 | 0.04353 (2) | 0.5000 | 0.26118 (4) | 0.01191 (9) | |
Pb2 | 0.20127 (2) | −0.5000 | 0.62893 (4) | 0.01320 (10) | |
Br1 | 0.00594 (7) | 0.5000 | −0.0207 (2) | 0.0202 (5) | 0.5 |
Cu1 | 0.06367 (9) | 0.5000 | −0.0584 (3) | 0.0362 (8) | 0.5 |
Cu2 | 0.16856 (5) | 0.0000 | 0.4565 (2) | 0.0469 (5) | |
Br2 | −0.00072 (3) | 0.0000 | 0.68053 (11) | 0.0194 (2) | |
Br3 | 0.25665 (3) | −0.5000 | 0.86217 (12) | 0.0347 (3) | |
Br4 | 0.12242 (3) | 0.5000 | −0.05420 (10) | 0.0196 (2) | |
Br5 | 0.10986 (3) | 0.0000 | 0.43612 (10) | 0.0195 (2) | |
Br6 | 0.22532 (3) | 0.0000 | 0.52599 (11) | 0.0215 (2) | |
Se1 | 0.19515 (3) | −1.0000 | 0.82239 (9) | 0.0113 (2) | |
Se2 | 0.45295 (3) | −0.5000 | 0.92751 (9) | 0.01042 (19) | |
Se3 | 0.05131 (3) | −0.5000 | 0.60819 (9) | 0.0110 (2) | |
Se4 | 0.19046 (3) | 0.5000 | 0.28878 (9) | 0.0107 (2) | |
Cu3 | 0.12546 (2) | 0.25779 (14) | 0.70509 (8) | 0.01187 (18) | |
Cu4 | 0.11765 (2) | 0.25322 (14) | 0.19156 (8) | 0.01179 (18) | |
Cu5 | 0.38056 (3) | −0.5000 | 1.05605 (12) | 0.0141 (3) | |
Cu6 | 0.06035 (3) | 0.0000 | 0.73387 (13) | 0.0154 (3) | |
Cu7 | 0.12075 (3) | −0.5000 | 0.44791 (11) | 0.0113 (2) | |
Cu8 | 0.31817 (4) | −0.5000 | 0.87619 (14) | 0.0255 (3) | |
O1 | 0.13836 (18) | 0.5000 | 0.6149 (6) | 0.0099 (14) | |
O2 | 0.13126 (19) | 0.0000 | 0.1118 (6) | 0.0114 (14) | |
O3 | 0.38972 (19) | −0.5000 | 1.2250 (7) | 0.0130 (15) | |
O4 | 0.10406 (17) | 0.5000 | 0.2801 (6) | 0.0076 (13) | |
O5 | 0.06938 (19) | 0.5000 | 0.4758 (7) | 0.0153 (15) | |
O6 | 0.1723 (2) | −0.5000 | 0.4230 (7) | 0.0198 (17) | |
O7 | 0.43209 (18) | −0.5000 | 1.0542 (6) | 0.0119 (14) | |
O8 | 0.17591 (14) | −0.7894 (8) | 0.7452 (5) | 0.0161 (11) | |
O9 | 0.43309 (13) | −0.7114 (8) | 0.8496 (5) | 0.0143 (11) | |
O10 | 0.07295 (13) | −0.7065 (8) | 0.6817 (5) | 0.0169 (11) | |
O11 | 0.16943 (14) | 0.2864 (9) | 0.2227 (6) | 0.0220 (13) | |
O12 | 0.1718 (2) | −1.0000 | 0.9454 (7) | 0.0192 (17) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.01093 (18) | 0.01161 (19) | 0.01313 (19) | 0.000 | 0.00064 (14) | 0.000 |
Pb2 | 0.01115 (18) | 0.0149 (2) | 0.01359 (19) | 0.000 | 0.00114 (14) | 0.000 |
Br1 | 0.0202 (17) | 0.0188 (10) | 0.0202 (17) | 0.000 | −0.0072 (10) | 0.000 |
Cu1 | 0.0225 (17) | 0.052 (2) | 0.034 (2) | 0.000 | −0.0008 (15) | 0.000 |
Cu2 | 0.0237 (9) | 0.0494 (12) | 0.0658 (15) | 0.000 | −0.0071 (9) | 0.000 |
Br2 | 0.0109 (5) | 0.0201 (5) | 0.0272 (6) | 0.000 | 0.0015 (4) | 0.000 |
Br3 | 0.0117 (5) | 0.0697 (10) | 0.0219 (6) | 0.000 | −0.0027 (5) | 0.000 |
Br4 | 0.0261 (6) | 0.0149 (5) | 0.0179 (5) | 0.000 | 0.0020 (4) | 0.000 |
Br5 | 0.0248 (6) | 0.0133 (5) | 0.0209 (6) | 0.000 | 0.0041 (5) | 0.000 |
Br6 | 0.0181 (5) | 0.0238 (6) | 0.0234 (6) | 0.000 | 0.0058 (5) | 0.000 |
Se1 | 0.0092 (5) | 0.0133 (5) | 0.0114 (5) | 0.000 | 0.0005 (4) | 0.000 |
Se2 | 0.0099 (5) | 0.0098 (5) | 0.0113 (5) | 0.000 | −0.0001 (4) | 0.000 |
Se3 | 0.0091 (4) | 0.0101 (5) | 0.0138 (5) | 0.000 | 0.0004 (4) | 0.000 |
Se4 | 0.0095 (5) | 0.0105 (5) | 0.0121 (5) | 0.000 | 0.0001 (4) | 0.000 |
Cu3 | 0.0106 (4) | 0.0104 (4) | 0.0146 (4) | 0.0002 (3) | 0.0011 (3) | 0.0025 (3) |
Cu4 | 0.0110 (4) | 0.0104 (4) | 0.0138 (4) | 0.0003 (3) | 0.0002 (3) | −0.0024 (3) |
Cu5 | 0.0115 (6) | 0.0210 (6) | 0.0099 (6) | 0.000 | 0.0009 (5) | 0.000 |
Cu6 | 0.0109 (6) | 0.0116 (6) | 0.0235 (7) | 0.000 | 0.0004 (5) | 0.000 |
Cu7 | 0.0108 (6) | 0.0124 (6) | 0.0107 (6) | 0.000 | 0.0006 (5) | 0.000 |
Cu8 | 0.0104 (6) | 0.0501 (10) | 0.0157 (7) | 0.000 | −0.0001 (5) | 0.000 |
O1 | 0.008 (3) | 0.012 (3) | 0.009 (3) | 0.000 | −0.001 (3) | 0.000 |
O2 | 0.018 (4) | 0.008 (3) | 0.009 (3) | 0.000 | 0.005 (3) | 0.000 |
O3 | 0.011 (3) | 0.012 (4) | 0.016 (4) | 0.000 | 0.000 (3) | 0.000 |
O4 | 0.009 (3) | 0.007 (3) | 0.008 (3) | 0.000 | 0.001 (3) | 0.000 |
O5 | 0.016 (4) | 0.016 (4) | 0.014 (4) | 0.000 | 0.002 (3) | 0.000 |
O6 | 0.009 (4) | 0.033 (5) | 0.017 (4) | 0.000 | 0.002 (3) | 0.000 |
O7 | 0.012 (3) | 0.011 (3) | 0.013 (4) | 0.000 | 0.003 (3) | 0.000 |
O8 | 0.016 (3) | 0.014 (3) | 0.018 (3) | 0.001 (2) | 0.001 (2) | 0.002 (2) |
O9 | 0.009 (2) | 0.012 (2) | 0.022 (3) | 0.001 (2) | 0.001 (2) | −0.002 (2) |
O10 | 0.010 (2) | 0.015 (3) | 0.024 (3) | 0.003 (2) | −0.003 (2) | 0.006 (2) |
O11 | 0.008 (2) | 0.020 (3) | 0.038 (4) | −0.003 (2) | 0.001 (2) | −0.015 (3) |
O12 | 0.016 (4) | 0.030 (5) | 0.012 (4) | 0.000 | 0.007 (3) | 0.000 |
Pb1—O4 | 2.296 (7) | Se2—O9ix | 1.719 (5) |
Pb1—O9i | 2.398 (5) | Se2—Br2xviii | 3.4044 (15) |
Pb1—O9ii | 2.398 (5) | Se2—Br1xi | 3.6000 (17) |
Pb1—O5 | 2.516 (8) | Se2—Br1i | 3.6000 (16) |
Pb1—Br1iii | 3.149 (3) | Se3—O5viii | 1.686 (7) |
Pb1—Br1 | 3.349 (3) | Se3—O10 | 1.701 (5) |
Pb1—Cu4iv | 3.3636 (9) | Se3—O10ix | 1.701 (5) |
Pb1—Cu4 | 3.3636 (9) | Se4—O11 | 1.690 (5) |
Pb1—Cu7v | 3.4568 (14) | Se4—O11iv | 1.690 (5) |
Pb1—Br2vi | 3.6016 (6) | Se4—O6v | 1.708 (8) |
Pb1—Br2vii | 3.6016 (6) | Se4—Br6xi | 3.6650 (16) |
Pb1—Cu1 | 3.722 (4) | Cu3—O3xiii | 1.899 (4) |
Pb2—O1viii | 2.387 (7) | Cu3—O1 | 1.903 (4) |
Pb2—O6 | 2.468 (8) | Cu3—O8v | 1.957 (5) |
Pb2—O8 | 2.468 (5) | Cu3—O10v | 2.006 (5) |
Pb2—O8ix | 2.468 (5) | Cu3—Cu6 | 2.9947 (14) |
Pb2—Br3 | 3.2106 (14) | Cu3—Cu3iv | 3.0183 (17) |
Pb2—Br6i | 3.4140 (12) | Cu3—Br4xix | 3.0983 (14) |
Pb2—Cu3viii | 3.4293 (9) | Cu3—Pb2v | 3.4294 (9) |
Pb2—Cu3x | 3.4293 (9) | Cu4—O2 | 1.907 (4) |
Pb2—Br6 | 3.4717 (5) | Cu4—O4 | 1.924 (4) |
Pb2—Br6viii | 3.4717 (5) | Cu4—O9i | 1.964 (5) |
Pb2—Cu7 | 3.5256 (14) | Cu4—O11 | 1.983 (5) |
Br1—Br1iii | 0.674 (4) | Cu4—Cu8i | 3.0589 (15) |
Br1—Cu1 | 2.274 (4) | Cu5—O3 | 1.892 (8) |
Br1—Cu1iii | 2.866 (4) | Cu5—O2i | 1.893 (7) |
Br1—Pb1iii | 3.149 (3) | Cu5—O7 | 1.964 (7) |
Br1—Se2xi | 3.6001 (16) | Cu5—O12xiv | 1.991 (8) |
Br1—Se2i | 3.6001 (16) | Cu5—Cu8 | 2.978 (2) |
Br1—Br4 | 4.483 (3) | Cu5—Br4i | 3.1175 (2) |
Cu1—Br4 | 2.233 (4) | Cu5—Br4xi | 3.1175 (2) |
Cu1—Br1iii | 2.866 (4) | Cu6—O3xiii | 1.917 (7) |
Cu2—Br5 | 2.227 (2) | Cu6—O10ix | 1.991 (5) |
Cu2—Br6 | 2.233 (2) | Cu6—O10v | 1.991 (5) |
Br2—Cu6 | 2.3504 (17) | Cu6—O7xiii | 2.364 (7) |
Br2—Se2xii | 3.4045 (15) | Cu6—Cu3x | 2.9947 (14) |
Br2—Pb1vi | 3.6017 (6) | Cu7—O4viii | 1.930 (7) |
Br2—Pb1vii | 3.6017 (6) | Cu7—O1viii | 1.930 (7) |
Br2—Br2vi | 4.045 (2) | Cu7—O6 | 2.005 (7) |
Br2—Br5vi | 4.2469 (17) | Cu7—O5viii | 2.007 (7) |
Br3—Cu8 | 2.3340 (19) | Cu7—Br5viii | 3.1441 (3) |
Br3—Br3xiii | 4.4438 (19) | Cu7—Pb1viii | 3.4568 (14) |
Br3—Br3xiv | 4.4438 (19) | Cu8—O2i | 1.918 (7) |
Br3—Br6i | 4.4555 (18) | Cu8—O12xiv | 2.000 (8) |
Br4—Cu3xv | 3.0983 (14) | Cu8—O11i | 2.173 (5) |
Br4—Cu3xvi | 3.0983 (14) | Cu8—O11xx | 2.173 (5) |
Br4—Cu5i | 3.1175 (2) | Cu8—Cu4xx | 3.0589 (15) |
Br4—Cu5xi | 3.1175 (2) | Cu8—Cu4i | 3.0589 (15) |
Br4—Cu4iv | 3.1695 (14) | O1—Cu3iv | 1.903 (4) |
Br4—Cu4 | 3.1696 (14) | O1—Cu7v | 1.930 (7) |
Br5—Cu7 | 3.1441 (3) | O1—Pb2v | 2.387 (7) |
Br5—Cu7v | 3.1441 (3) | O2—Cu5i | 1.893 (7) |
Br5—Cu4 | 3.1946 (13) | O2—Cu4x | 1.907 (4) |
Br5—Cu4x | 3.1946 (13) | O2—Cu8i | 1.919 (7) |
Br5—Cu3 | 3.4180 (14) | O3—Cu3xxi | 1.899 (4) |
Br5—Cu3x | 3.4180 (14) | O3—Cu3xiii | 1.899 (4) |
Br5—Br2vi | 4.2469 (17) | O3—Cu6xiii | 1.917 (7) |
Br5—Pb1viii | 4.3661 (9) | O4—Cu4iv | 1.924 (4) |
Br5—Br6 | 4.4241 (18) | O4—Cu7v | 1.930 (7) |
Br6—Pb2i | 3.4140 (12) | O5—Se3v | 1.686 (7) |
Br6—Pb2v | 3.4717 (5) | O5—Cu7v | 2.007 (7) |
Br6—Se1v | 3.6023 (15) | O6—Se4viii | 1.708 (8) |
Br6—Se4xi | 3.6651 (16) | O7—Cu6xiii | 2.364 (7) |
Br6—Br6xi | 3.7102 (12) | O8—Cu3viii | 1.957 (5) |
Br6—Br6i | 3.7102 (12) | O9—Cu4i | 1.964 (5) |
Br6—Br3i | 4.4555 (18) | O9—Pb1i | 2.398 (5) |
Se1—O8 | 1.702 (5) | O10—Cu6viii | 1.991 (5) |
Se1—O8xvii | 1.702 (5) | O10—Cu3viii | 2.006 (5) |
Se1—O12 | 1.703 (7) | O11—Cu8i | 2.173 (5) |
Se1—Br6viii | 3.6023 (15) | O12—Cu5xiv | 1.991 (8) |
Se2—O7 | 1.684 (7) | O12—Cu8xiv | 2.000 (8) |
Se2—O9 | 1.719 (5) | ||
O4—Pb1—O9i | 68.49 (15) | Pb2i—Br6—Se4xi | 64.68 (3) |
O4—Pb1—O9ii | 68.49 (16) | Pb2—Br6—Se4xi | 93.17 (3) |
O9i—Pb1—O9ii | 97.1 (2) | Pb2v—Br6—Se4xi | 93.17 (2) |
O4—Pb1—O5 | 66.8 (2) | Se1v—Br6—Se4xi | 79.19 (3) |
O9i—Pb1—O5 | 111.19 (16) | Cu2—Br6—Br6xi | 115.69 (5) |
O9ii—Pb1—O5 | 111.19 (16) | Pb2i—Br6—Br6xi | 58.15 (3) |
O4—Pb1—Br1iii | 126.90 (17) | Pb2—Br6—Br6xi | 163.18 (6) |
O9i—Pb1—Br1iii | 77.27 (13) | Pb2v—Br6—Br6xi | 56.648 (15) |
O9ii—Pb1—Br1iii | 77.27 (13) | Se1v—Br6—Br6xi | 110.52 (4) |
O5—Pb1—Br1iii | 166.35 (17) | Se4xi—Br6—Br6xi | 70.02 (4) |
O4—Pb1—Br1 | 115.52 (17) | Cu2—Br6—Br6i | 115.69 (5) |
O9i—Pb1—Br1 | 70.18 (13) | Pb2i—Br6—Br6i | 58.15 (3) |
O9ii—Pb1—Br1 | 70.18 (13) | Pb2—Br6—Br6i | 56.648 (15) |
O5—Pb1—Br1 | 177.73 (17) | Pb2v—Br6—Br6i | 163.18 (6) |
Br1iii—Pb1—Br1 | 11.38 (8) | Se1v—Br6—Br6i | 110.52 (4) |
O4—Pb1—Cu4iv | 33.48 (9) | Se4xi—Br6—Br6i | 70.02 (4) |
O9i—Pb1—Cu4iv | 82.34 (12) | Br6xi—Br6—Br6i | 114.21 (6) |
O9ii—Pb1—Cu4iv | 35.05 (12) | Cu2—Br6—Br5 | 7.22 (6) |
O5—Pb1—Cu4iv | 87.38 (15) | Pb2i—Br6—Br5 | 136.52 (4) |
Br1iii—Pb1—Cu4iv | 104.71 (4) | Pb2—Br6—Br5 | 77.88 (2) |
Br1—Pb1—Cu4iv | 94.64 (4) | Pb2v—Br6—Br5 | 77.88 (2) |
O4—Pb1—Cu4 | 33.47 (9) | Se1v—Br6—Br5 | 79.61 (3) |
O9i—Pb1—Cu4 | 35.05 (12) | Se4xi—Br6—Br5 | 158.80 (4) |
O9ii—Pb1—Cu4 | 82.34 (12) | Br6xi—Br6—Br5 | 118.11 (4) |
O5—Pb1—Cu4 | 87.38 (15) | Br6i—Br6—Br5 | 118.11 (4) |
Br1iii—Pb1—Cu4 | 104.72 (4) | Cu2—Br6—Br3i | 83.47 (7) |
Br1—Pb1—Cu4 | 94.64 (4) | Pb2i—Br6—Br3i | 45.83 (2) |
Cu4iv—Pb1—Cu4 | 54.40 (3) | Pb2—Br6—Br3i | 113.00 (2) |
O4—Pb1—Cu7v | 31.76 (16) | Pb2v—Br6—Br3i | 113.00 (2) |
O9i—Pb1—Cu7v | 88.75 (13) | Se1v—Br6—Br3i | 170.31 (4) |
O9ii—Pb1—Cu7v | 88.75 (13) | Se4xi—Br6—Br3i | 110.51 (3) |
O5—Pb1—Cu7v | 34.99 (16) | Br6xi—Br6—Br3i | 74.00 (4) |
Br1iii—Pb1—Cu7v | 158.66 (5) | Br6i—Br6—Br3i | 74.00 (4) |
Br1—Pb1—Cu7v | 147.28 (5) | Br5—Br6—Br3i | 90.69 (3) |
Cu4iv—Pb1—Cu7v | 56.85 (2) | O8—Se1—O8xvii | 100.9 (4) |
Cu4—Pb1—Cu7v | 56.85 (2) | O8—Se1—O12 | 100.3 (2) |
O4—Pb1—Br2vi | 116.72 (4) | O8xvii—Se1—O12 | 100.3 (2) |
O9i—Pb1—Br2vi | 68.84 (12) | O8—Se1—Br6viii | 71.95 (18) |
O9ii—Pb1—Br2vi | 159.40 (13) | O8xvii—Se1—Br6viii | 71.95 (18) |
O5—Pb1—Br2vi | 88.45 (8) | O12—Se1—Br6viii | 167.1 (3) |
Br1iii—Pb1—Br2vi | 84.73 (3) | O7—Se2—O9 | 102.0 (2) |
Br1—Pb1—Br2vi | 90.41 (3) | O7—Se2—O9ix | 102.0 (2) |
Cu4iv—Pb1—Br2vi | 147.06 (2) | O9—Se2—O9ix | 100.1 (4) |
Cu4—Pb1—Br2vi | 92.77 (2) | O7—Se2—Br2xviii | 177.0 (3) |
Cu7v—Pb1—Br2vi | 105.38 (2) | O9—Se2—Br2xviii | 79.88 (17) |
O4—Pb1—Br2vii | 116.72 (4) | O9ix—Se2—Br2xviii | 79.88 (17) |
O9i—Pb1—Br2vii | 159.40 (13) | O7—Se2—Br1xi | 88.92 (13) |
O9ii—Pb1—Br2vii | 68.84 (12) | O9—Se2—Br1xi | 166.28 (19) |
O5—Pb1—Br2vii | 88.45 (8) | O9ix—Se2—Br1xi | 69.19 (18) |
Br1iii—Pb1—Br2vii | 84.73 (3) | Br2xviii—Se2—Br1xi | 89.56 (4) |
Br1—Pb1—Br2vii | 90.41 (3) | O7—Se2—Br1i | 88.92 (13) |
Cu4iv—Pb1—Br2vii | 92.77 (2) | O9—Se2—Br1i | 69.19 (18) |
Cu4—Pb1—Br2vii | 147.06 (2) | O9ix—Se2—Br1i | 166.28 (19) |
Cu7v—Pb1—Br2vii | 105.38 (2) | Br2xviii—Se2—Br1i | 89.56 (4) |
Br2vi—Pb1—Br2vii | 119.76 (3) | Br1xi—Se2—Br1i | 119.85 (9) |
O4—Pb1—Cu1 | 78.47 (17) | O5viii—Se3—O10 | 102.0 (2) |
O9i—Pb1—Cu1 | 52.19 (13) | O5viii—Se3—O10ix | 102.0 (2) |
O9ii—Pb1—Cu1 | 52.19 (13) | O10—Se3—O10ix | 98.3 (4) |
O5—Pb1—Cu1 | 145.22 (17) | O11—Se4—O11iv | 103.9 (4) |
Br1iii—Pb1—Cu1 | 48.43 (7) | O11—Se4—O6v | 99.9 (3) |
Br1—Pb1—Cu1 | 37.05 (7) | O11iv—Se4—O6v | 99.9 (3) |
Cu4iv—Pb1—Cu1 | 62.02 (5) | O11—Se4—Br6xi | 127.3 (2) |
Cu4—Pb1—Cu1 | 62.02 (5) | O11iv—Se4—Br6xi | 127.3 (2) |
Cu7v—Pb1—Cu1 | 110.23 (6) | O6v—Se4—Br6xi | 84.5 (3) |
Br2vi—Pb1—Cu1 | 107.94 (3) | O3xiii—Cu3—O1 | 172.3 (3) |
Br2vii—Pb1—Cu1 | 107.94 (3) | O3xiii—Cu3—O8v | 96.1 (3) |
O1viii—Pb2—O6 | 64.7 (2) | O1—Cu3—O8v | 87.0 (3) |
O1viii—Pb2—O8 | 66.33 (16) | O3xiii—Cu3—O10v | 79.2 (3) |
O6—Pb2—O8 | 109.16 (17) | O1—Cu3—O10v | 98.2 (3) |
O1viii—Pb2—O8ix | 66.33 (16) | O8v—Cu3—O10v | 173.8 (2) |
O6—Pb2—O8ix | 109.15 (17) | O3xiii—Cu3—Cu6 | 38.5 (2) |
O8—Pb2—O8ix | 93.9 (2) | O1—Cu3—Cu6 | 137.4 (2) |
O1viii—Pb2—Br3 | 129.66 (17) | O8v—Cu3—Cu6 | 134.45 (16) |
O6—Pb2—Br3 | 165.62 (17) | O10v—Cu3—Cu6 | 41.28 (15) |
O8—Pb2—Br3 | 80.27 (13) | O3xiii—Cu3—Cu3iv | 147.78 (18) |
O8ix—Pb2—Br3 | 80.27 (13) | O1—Cu3—Cu3iv | 37.53 (16) |
O1viii—Pb2—Br6i | 145.86 (17) | O8v—Cu3—Cu3iv | 98.64 (15) |
O6—Pb2—Br6i | 81.15 (17) | O10v—Cu3—Cu3iv | 83.63 (15) |
O8—Pb2—Br6i | 129.97 (12) | Cu6—Cu3—Cu3iv | 122.44 (2) |
O8ix—Pb2—Br6i | 129.97 (12) | O3xiii—Cu3—Br4xix | 91.0 (2) |
Br3—Pb2—Br6i | 84.47 (3) | O1—Cu3—Br4xix | 96.04 (17) |
O1viii—Pb2—Cu3viii | 32.32 (10) | O8v—Cu3—Br4xix | 89.05 (16) |
O6—Pb2—Cu3viii | 85.04 (15) | O10v—Cu3—Br4xix | 86.99 (16) |
O8—Pb2—Cu3viii | 34.06 (12) | Cu6—Cu3—Br4xix | 94.26 (4) |
O8ix—Pb2—Cu3viii | 79.31 (12) | Cu3iv—Cu3—Br4xix | 60.850 (19) |
Br3—Pb2—Cu3viii | 107.81 (3) | O3xiii—Cu3—Br5 | 85.9 (2) |
Br6i—Pb2—Cu3viii | 150.437 (19) | O1—Cu3—Br5 | 86.51 (18) |
O1viii—Pb2—Cu3x | 32.32 (10) | O8v—Cu3—Br5 | 102.93 (16) |
O6—Pb2—Cu3x | 85.04 (15) | O10v—Cu3—Br5 | 80.91 (16) |
O8—Pb2—Cu3x | 79.31 (12) | Cu6—Cu3—Br5 | 76.12 (4) |
O8ix—Pb2—Cu3x | 34.06 (12) | Cu3iv—Cu3—Br5 | 118.031 (17) |
Br3—Pb2—Cu3x | 107.81 (3) | Br4xix—Cu3—Br5 | 167.88 (4) |
Br6i—Pb2—Cu3x | 150.437 (19) | O3xiii—Cu3—Pb2v | 140.1 (2) |
Cu3viii—Pb2—Cu3x | 52.22 (3) | O1—Cu3—Pb2v | 42.1 (2) |
O1viii—Pb2—Br6 | 105.67 (6) | O8v—Cu3—Pb2v | 44.96 (15) |
O6—Pb2—Br6 | 78.46 (7) | O10v—Cu3—Pb2v | 140.31 (15) |
O8—Pb2—Br6 | 163.08 (12) | Cu6—Cu3—Pb2v | 170.12 (4) |
O8ix—Pb2—Br6 | 69.25 (12) | Cu3iv—Cu3—Pb2v | 63.891 (15) |
Br3—Pb2—Br6 | 95.52 (2) | Br4xix—Cu3—Pb2v | 95.57 (3) |
Br6i—Pb2—Br6 | 65.202 (18) | Br5—Cu3—Pb2v | 94.24 (3) |
Cu3viii—Pb2—Br6 | 136.81 (3) | O2—Cu4—O4 | 176.9 (2) |
Cu3x—Pb2—Br6 | 86.52 (2) | O2—Cu4—O9i | 94.7 (3) |
O1viii—Pb2—Br6viii | 105.67 (6) | O4—Cu4—O9i | 85.6 (2) |
O6—Pb2—Br6viii | 78.46 (7) | O2—Cu4—O11 | 82.1 (3) |
O8—Pb2—Br6viii | 69.25 (12) | O4—Cu4—O11 | 97.7 (2) |
O8ix—Pb2—Br6viii | 163.08 (12) | O9i—Cu4—O11 | 176.2 (2) |
Br3—Pb2—Br6viii | 95.52 (2) | O2—Cu4—Cu8i | 37.0 (2) |
Br6i—Pb2—Br6viii | 65.201 (18) | O4—Cu4—Cu8i | 142.7 (2) |
Cu3viii—Pb2—Br6viii | 86.52 (2) | O9i—Cu4—Cu8i | 131.62 (15) |
Cu3x—Pb2—Br6viii | 136.81 (3) | O11—Cu4—Cu8i | 45.08 (15) |
Br6—Pb2—Br6viii | 127.63 (4) | O2—Cu4—Br4 | 87.52 (18) |
O1viii—Pb2—Cu7 | 31.17 (17) | O4—Cu4—Br4 | 95.58 (16) |
O6—Pb2—Cu7 | 33.55 (17) | O9i—Cu4—Br4 | 89.42 (16) |
O8—Pb2—Cu7 | 86.70 (13) | O11—Cu4—Br4 | 88.34 (19) |
O8ix—Pb2—Cu7 | 86.70 (13) | Cu8i—Cu4—Br4 | 85.89 (4) |
Br3—Pb2—Cu7 | 160.83 (3) | O2—Cu4—Br5 | 92.38 (18) |
Br6i—Pb2—Cu7 | 114.70 (3) | O4—Cu4—Br5 | 84.53 (16) |
Cu3viii—Pb2—Cu7 | 55.52 (2) | O9i—Cu4—Br5 | 88.46 (16) |
Cu3x—Pb2—Cu7 | 55.52 (2) | O11—Cu4—Br5 | 93.76 (19) |
Br6—Pb2—Cu7 | 92.90 (2) | Cu8i—Cu4—Br5 | 95.32 (4) |
Br6viii—Pb2—Cu7 | 92.90 (2) | Br4—Cu4—Br5 | 177.87 (4) |
Br1iii—Br1—Cu1 | 147.6 (6) | O2—Cu4—Pb1 | 139.0 (2) |
Br1iii—Br1—Cu1iii | 25.2 (5) | O4—Cu4—Pb1 | 41.17 (19) |
Cu1—Br1—Cu1iii | 172.75 (13) | O9i—Cu4—Pb1 | 44.52 (15) |
Br1iii—Br1—Pb1iii | 101.5 (5) | O11—Cu4—Pb1 | 138.84 (16) |
Cu1—Br1—Pb1iii | 110.96 (13) | Cu8i—Cu4—Pb1 | 175.87 (4) |
Cu1iii—Br1—Pb1iii | 76.29 (10) | Br4—Cu4—Pb1 | 95.24 (3) |
Br1iii—Br1—Pb1 | 67.2 (5) | Br5—Cu4—Pb1 | 83.43 (3) |
Cu1—Br1—Pb1 | 80.42 (13) | O3—Cu5—O2i | 176.9 (3) |
Cu1iii—Br1—Pb1 | 92.33 (10) | O3—Cu5—O7 | 85.0 (3) |
Pb1iii—Br1—Pb1 | 168.62 (8) | O2i—Cu5—O7 | 98.2 (3) |
Br1iii—Br1—Se2xi | 95.9 (3) | O3—Cu5—O12xiv | 96.1 (3) |
Cu1—Br1—Se2xi | 69.56 (6) | O2i—Cu5—O12xiv | 80.8 (3) |
Cu1iii—Br1—Se2xi | 107.53 (5) | O7—Cu5—O12xiv | 178.9 (3) |
Pb1iii—Br1—Se2xi | 117.42 (5) | O3—Cu5—Cu8 | 138.0 (2) |
Pb1—Br1—Se2xi | 65.64 (5) | O2i—Cu5—Cu8 | 38.9 (2) |
Br1iii—Br1—Se2i | 95.9 (3) | O7—Cu5—Cu8 | 137.1 (2) |
Cu1—Br1—Se2i | 69.56 (6) | O12xiv—Cu5—Cu8 | 41.9 (2) |
Cu1iii—Br1—Se2i | 107.53 (5) | O3—Cu5—Br4i | 90.58 (3) |
Pb1iii—Br1—Se2i | 117.42 (5) | O2i—Cu5—Br4i | 89.31 (3) |
Pb1—Br1—Se2i | 65.64 (5) | O7—Cu5—Br4i | 92.05 (3) |
Se2xi—Br1—Se2i | 119.85 (9) | O12xiv—Cu5—Br4i | 87.95 (3) |
Br1iii—Br1—Br4 | 141.7 (6) | Cu8—Cu5—Br4i | 88.23 (3) |
Cu1—Br1—Br4 | 5.88 (10) | O3—Cu5—Br4xi | 90.58 (3) |
Cu1iii—Br1—Br4 | 166.87 (12) | O2i—Cu5—Br4xi | 89.31 (3) |
Pb1iii—Br1—Br4 | 116.84 (6) | O7—Cu5—Br4xi | 92.05 (3) |
Pb1—Br1—Br4 | 74.54 (6) | O12xiv—Cu5—Br4xi | 87.95 (3) |
Se2xi—Br1—Br4 | 67.40 (4) | Cu8—Cu5—Br4xi | 88.23 (3) |
Se2i—Br1—Br4 | 67.40 (4) | Br4i—Cu5—Br4xi | 175.83 (7) |
Br4—Cu1—Br1 | 168.1 (2) | O3xiii—Cu6—O10ix | 79.12 (17) |
Br4—Cu1—Br1iii | 160.88 (18) | O3xiii—Cu6—O10v | 79.12 (17) |
Br1—Cu1—Br1iii | 7.25 (13) | O10ix—Cu6—O10v | 133.5 (3) |
Br4—Cu1—Pb1 | 105.59 (13) | O3xiii—Cu6—Br2 | 179.2 (2) |
Br1—Cu1—Pb1 | 62.53 (11) | O10ix—Cu6—Br2 | 100.59 (15) |
Br1iii—Cu1—Pb1 | 55.29 (9) | O10v—Cu6—Br2 | 100.59 (15) |
Br5—Cu2—Br6 | 165.54 (13) | O3xiii—Cu6—O7xiii | 74.1 (3) |
Cu6—Br2—Se2xii | 111.38 (6) | O10ix—Cu6—O7xiii | 106.40 (17) |
Cu6—Br2—Pb1vi | 114.04 (2) | O10v—Cu6—O7xiii | 106.40 (17) |
Se2xii—Br2—Pb1vi | 65.081 (18) | Br2—Cu6—O7xiii | 106.67 (18) |
Cu6—Br2—Pb1vii | 114.04 (2) | O3xiii—Cu6—Cu3 | 38.07 (11) |
Se2xii—Br2—Pb1vii | 65.081 (18) | O10ix—Cu6—Cu3 | 103.80 (15) |
Pb1vi—Br2—Pb1vii | 119.76 (3) | O10v—Cu6—Cu3 | 41.67 (15) |
Cu6—Br2—Br2vi | 98.92 (5) | Br2—Cu6—Cu3 | 141.52 (4) |
Se2xii—Br2—Br2vi | 149.70 (5) | O7xiii—Cu6—Cu3 | 94.46 (15) |
Pb1vi—Br2—Br2vi | 103.08 (3) | O3xiii—Cu6—Cu3x | 38.07 (11) |
Pb1vii—Br2—Br2vi | 103.08 (3) | O10ix—Cu6—Cu3x | 41.68 (15) |
Cu6—Br2—Br5vi | 176.82 (6) | O10v—Cu6—Cu3x | 103.80 (15) |
Se2xii—Br2—Br5vi | 71.80 (3) | Br2—Cu6—Cu3x | 141.52 (4) |
Pb1vi—Br2—Br5vi | 67.015 (18) | O7xiii—Cu6—Cu3x | 94.45 (15) |
Pb1vii—Br2—Br5vi | 67.015 (18) | Cu3—Cu6—Cu3x | 64.87 (4) |
Br2vi—Br2—Br5vi | 77.90 (4) | O4viii—Cu7—O1viii | 178.9 (3) |
Cu8—Br3—Pb2 | 129.76 (6) | O4viii—Cu7—O6 | 96.2 (3) |
Cu8—Br3—Br3xiii | 97.31 (5) | O1viii—Cu7—O6 | 82.7 (3) |
Pb2—Br3—Br3xiii | 117.26 (4) | O4viii—Cu7—O5viii | 84.7 (3) |
Cu8—Br3—Br3xiv | 97.31 (5) | O1viii—Cu7—O5viii | 96.4 (3) |
Pb2—Br3—Br3xiv | 117.26 (4) | O6—Cu7—O5viii | 179.0 (3) |
Br3xiii—Br3—Br3xiv | 89.03 (5) | O4viii—Cu7—Br5 | 85.87 (4) |
Cu8—Br3—Br6i | 80.06 (5) | O1viii—Cu7—Br5 | 94.25 (4) |
Pb2—Br3—Br6i | 49.70 (2) | O6—Cu7—Br5 | 96.96 (3) |
Br3xiii—Br3—Br6i | 135.49 (2) | O5viii—Cu7—Br5 | 83.10 (3) |
Br3xiv—Br3—Br6i | 135.49 (2) | O4viii—Cu7—Br5viii | 85.87 (4) |
Cu1—Br4—Cu3xv | 95.41 (9) | O1viii—Cu7—Br5viii | 94.25 (4) |
Cu1—Br4—Cu3xvi | 95.41 (9) | O6—Cu7—Br5viii | 96.96 (3) |
Cu3xv—Br4—Cu3xvi | 58.30 (4) | O5viii—Cu7—Br5viii | 83.10 (3) |
Cu1—Br4—Cu5i | 87.94 (3) | Br5—Cu7—Br5viii | 164.50 (6) |
Cu3xv—Br4—Cu5i | 60.76 (3) | O4viii—Cu7—Pb1viii | 38.78 (19) |
Cu3xvi—Br4—Cu5i | 119.02 (4) | O1viii—Cu7—Pb1viii | 142.3 (2) |
Cu1—Br4—Cu5xi | 87.94 (3) | O6—Cu7—Pb1viii | 135.0 (2) |
Cu3xv—Br4—Cu5xi | 119.02 (4) | O5viii—Cu7—Pb1viii | 45.9 (2) |
Cu3xvi—Br4—Cu5xi | 60.76 (3) | Br5—Cu7—Pb1viii | 82.67 (3) |
Cu5i—Br4—Cu5xi | 175.83 (7) | Br5viii—Cu7—Pb1viii | 82.67 (3) |
Cu1—Br4—Cu4iv | 83.45 (9) | O4viii—Cu7—Pb2 | 139.1 (2) |
Cu3xv—Br4—Cu4iv | 178.86 (5) | O1viii—Cu7—Pb2 | 39.8 (2) |
Cu3xvi—Br4—Cu4iv | 121.82 (2) | O6—Cu7—Pb2 | 42.9 (2) |
Cu5i—Br4—Cu4iv | 119.07 (4) | O5viii—Cu7—Pb2 | 136.2 (2) |
Cu5xi—Br4—Cu4iv | 61.07 (3) | Br5—Cu7—Pb2 | 97.42 (3) |
Cu1—Br4—Cu4 | 83.45 (9) | Br5viii—Cu7—Pb2 | 97.42 (3) |
Cu3xv—Br4—Cu4 | 121.82 (2) | Pb1viii—Cu7—Pb2 | 177.89 (4) |
Cu3xvi—Br4—Cu4 | 178.86 (5) | O2i—Cu8—O12xiv | 79.9 (3) |
Cu5i—Br4—Cu4 | 61.07 (3) | O2i—Cu8—O11i | 76.99 (18) |
Cu5xi—Br4—Cu4 | 119.06 (4) | O12xiv—Cu8—O11i | 118.47 (19) |
Cu4iv—Br4—Cu4 | 58.04 (4) | O2i—Cu8—O11xx | 76.99 (18) |
Cu1—Br4—Br1 | 5.99 (10) | O12xiv—Cu8—O11xx | 118.47 (19) |
Cu3xv—Br4—Br1 | 100.62 (4) | O11i—Cu8—O11xx | 110.4 (3) |
Cu3xvi—Br4—Br1 | 100.62 (4) | O2i—Cu8—Br3 | 179.8 (2) |
Cu5i—Br4—Br1 | 87.99 (3) | O12xiv—Cu8—Br3 | 99.9 (2) |
Cu5xi—Br4—Br1 | 87.99 (3) | O11i—Cu8—Br3 | 103.10 (15) |
Cu4iv—Br4—Br1 | 78.23 (4) | O11xx—Cu8—Br3 | 103.10 (14) |
Cu4—Br4—Br1 | 78.23 (4) | O2i—Cu8—Cu5 | 38.3 (2) |
Cu2—Br5—Cu7 | 82.43 (3) | O12xiv—Cu8—Cu5 | 41.6 (2) |
Cu2—Br5—Cu7v | 82.43 (3) | O11i—Cu8—Cu5 | 98.53 (16) |
Cu7—Br5—Cu7v | 164.50 (6) | O11xx—Cu8—Cu5 | 98.53 (16) |
Cu2—Br5—Cu4 | 85.47 (6) | Br3—Cu8—Cu5 | 141.52 (7) |
Cu7—Br5—Cu4 | 120.25 (4) | O2i—Cu8—Cu4xx | 36.77 (11) |
Cu7v—Br5—Cu4 | 61.64 (3) | O12xiv—Cu8—Cu4xx | 99.15 (19) |
Cu2—Br5—Cu4x | 85.47 (6) | O11i—Cu8—Cu4xx | 94.82 (15) |
Cu7—Br5—Cu4x | 61.64 (3) | O11xx—Cu8—Cu4xx | 40.25 (14) |
Cu7v—Br5—Cu4x | 120.24 (4) | Br3—Cu8—Cu4xx | 143.32 (4) |
Cu4—Br5—Cu4x | 59.19 (4) | Cu5—Cu8—Cu4xx | 63.88 (4) |
Cu2—Br5—Cu3 | 79.25 (6) | O2i—Cu8—Cu4i | 36.77 (11) |
Cu7—Br5—Cu3 | 114.61 (4) | O12xiv—Cu8—Cu4i | 99.15 (19) |
Cu7v—Br5—Cu3 | 59.01 (3) | O11i—Cu8—Cu4i | 40.25 (14) |
Cu4—Br5—Cu3 | 120.02 (2) | O11xx—Cu8—Cu4i | 94.82 (15) |
Cu4x—Br5—Cu3 | 164.68 (5) | Br3—Cu8—Cu4i | 143.32 (4) |
Cu2—Br5—Cu3x | 79.24 (6) | Cu5—Cu8—Cu4i | 63.88 (4) |
Cu7—Br5—Cu3x | 59.01 (3) | Cu4xx—Cu8—Cu4i | 62.10 (4) |
Cu7v—Br5—Cu3x | 114.61 (4) | Cu3—O1—Cu3iv | 104.9 (3) |
Cu4—Br5—Cu3x | 164.68 (5) | Cu3—O1—Cu7v | 115.4 (2) |
Cu4x—Br5—Cu3x | 120.02 (2) | Cu3iv—O1—Cu7v | 115.4 (2) |
Cu3—Br5—Cu3x | 56.06 (3) | Cu3—O1—Pb2v | 105.6 (2) |
Cu2—Br5—Br2vi | 168.02 (8) | Cu3iv—O1—Pb2v | 105.6 (2) |
Cu7—Br5—Br2vi | 97.75 (3) | Cu7v—O1—Pb2v | 109.0 (3) |
Cu7v—Br5—Br2vi | 97.75 (3) | Cu5i—O2—Cu4x | 114.4 (2) |
Cu4—Br5—Br2vi | 84.11 (3) | Cu5i—O2—Cu4 | 114.4 (2) |
Cu4x—Br5—Br2vi | 84.11 (3) | Cu4x—O2—Cu4 | 111.7 (3) |
Cu3—Br5—Br2vi | 111.20 (3) | Cu5i—O2—Cu8i | 102.8 (3) |
Cu3x—Br5—Br2vi | 111.20 (3) | Cu4x—O2—Cu8i | 106.2 (3) |
Cu2—Br5—Pb1viii | 125.62 (4) | Cu4—O2—Cu8i | 106.2 (3) |
Cu7—Br5—Pb1viii | 51.75 (3) | Cu5—O3—Cu3xxi | 112.0 (2) |
Cu7v—Br5—Pb1viii | 142.65 (4) | Cu5—O3—Cu3xiii | 112.0 (2) |
Cu4—Br5—Pb1viii | 93.51 (3) | Cu3xxi—O3—Cu3xiii | 115.6 (4) |
Cu4x—Br5—Pb1viii | 49.94 (2) | Cu5—O3—Cu6xiii | 109.5 (4) |
Cu3—Br5—Pb1viii | 141.25 (3) | Cu3xxi—O3—Cu6xiii | 103.4 (3) |
Cu3x—Br5—Pb1viii | 96.274 (19) | Cu3xiii—O3—Cu6xiii | 103.4 (3) |
Br2vi—Br5—Pb1viii | 49.414 (14) | Cu4—O4—Cu4iv | 106.1 (3) |
Cu2—Br5—Pb1 | 125.62 (4) | Cu4—O4—Cu7v | 114.9 (2) |
Cu7—Br5—Pb1 | 142.65 (4) | Cu4iv—O4—Cu7v | 114.9 (2) |
Cu7v—Br5—Pb1 | 51.75 (3) | Cu4—O4—Pb1 | 105.4 (2) |
Cu4—Br5—Pb1 | 49.94 (2) | Cu4iv—O4—Pb1 | 105.4 (2) |
Cu4x—Br5—Pb1 | 93.51 (3) | Cu7v—O4—Pb1 | 109.5 (3) |
Cu3—Br5—Pb1 | 96.274 (19) | Se3v—O5—Cu7v | 127.9 (4) |
Cu3x—Br5—Pb1 | 141.25 (3) | Se3v—O5—Pb1 | 133.1 (4) |
Br2vi—Br5—Pb1 | 49.414 (14) | Cu7v—O5—Pb1 | 99.1 (3) |
Pb1viii—Br5—Pb1 | 91.05 (2) | Se4viii—O6—Cu7 | 126.7 (5) |
Cu2—Br5—Br6 | 7.24 (6) | Se4viii—O6—Pb2 | 129.7 (4) |
Cu7—Br5—Br6 | 82.28 (3) | Cu7—O6—Pb2 | 103.6 (3) |
Cu7v—Br5—Br6 | 82.28 (3) | Se2—O7—Cu5 | 123.6 (4) |
Cu4—Br5—Br6 | 91.77 (3) | Se2—O7—Cu6xiii | 145.0 (4) |
Cu4x—Br5—Br6 | 91.77 (3) | Cu5—O7—Cu6xiii | 91.4 (3) |
Cu3—Br5—Br6 | 72.91 (3) | Se1—O8—Cu3viii | 127.1 (3) |
Cu3x—Br5—Br6 | 72.91 (3) | Se1—O8—Pb2 | 131.3 (3) |
Br2vi—Br5—Br6 | 175.26 (4) | Cu3viii—O8—Pb2 | 101.0 (2) |
Pb1viii—Br5—Br6 | 128.821 (17) | Se2—O9—Cu4i | 127.0 (3) |
Pb1—Br5—Br6 | 128.820 (17) | Se2—O9—Pb1i | 132.1 (3) |
Cu2—Br6—Pb2i | 129.30 (8) | Cu4i—O9—Pb1i | 100.4 (2) |
Cu2—Br6—Pb2 | 80.82 (3) | Se3—O10—Cu6viii | 135.8 (3) |
Pb2i—Br6—Pb2 | 114.798 (18) | Se3—O10—Cu3viii | 125.6 (3) |
Cu2—Br6—Pb2v | 80.82 (3) | Cu6viii—O10—Cu3viii | 97.0 (2) |
Pb2i—Br6—Pb2v | 114.798 (18) | Se4—O11—Cu4 | 125.8 (3) |
Pb2—Br6—Pb2v | 127.63 (4) | Se4—O11—Cu8i | 138.9 (3) |
Cu2—Br6—Se1v | 86.84 (7) | Cu4—O11—Cu8i | 94.7 (2) |
Pb2i—Br6—Se1v | 143.87 (4) | Se1—O12—Cu5xiv | 125.9 (5) |
Pb2—Br6—Se1v | 65.188 (19) | Se1—O12—Cu8xiv | 137.6 (5) |
Pb2v—Br6—Se1v | 65.188 (19) | Cu5xiv—O12—Cu8xiv | 96.5 (3) |
Cu2—Br6—Se4xi | 166.02 (8) |
Symmetry codes: (i) −x+1/2, −y−1/2, −z+1; (ii) −x+1/2, y+3/2, −z+1; (iii) −x, −y+1, −z; (iv) x, −y+1, z; (v) x, y+1, z; (vi) −x, −y, −z+1; (vii) −x, −y+1, −z+1; (viii) x, y−1, z; (ix) x, −y−1, z; (x) x, −y, z; (xi) −x+1/2, −y+1/2, −z+1; (xii) x−1/2, y+1/2, z; (xiii) −x+1/2, −y−1/2, −z+2; (xiv) −x+1/2, −y−3/2, −z+2; (xv) x, y, z−1; (xvi) x, −y+1, z−1; (xvii) x, −y−2, z; (xviii) x+1/2, y−1/2, z; (xix) x, y, z+1; (xx) −x+1/2, y−1/2, −z+1; (xxi) −x+1/2, y−1/2, −z+2. |
Br22.16Cu28O64Pb17.06Se16 | F(000) = 4043 |
Mr = 9371.95 | Dx = 5.080 Mg m−3 |
Orthorhombic, Cmmm | Mo Kα radiation, λ = 0.71073 Å |
a = 23.943 (12) Å | Cell parameters from 740 reflections |
b = 20.268 (10) Å | θ = 2.0–21.4° |
c = 6.313 (4) Å | µ = 40.13 mm−1 |
V = 3064 (3) Å3 | T = 293 K |
Z = 1 | Plate |
Bruker Apex 2 Duo diffractometer | θmax = 21.4°, θmin = 2.0° |
6846 measured reflections | h = −24→24 |
1013 independent reflections | k = −20→20 |
764 reflections with I > 2σ(I) | l = −3→6 |
Rint = 0.098 |
Refinement on F2 | 128 parameters |
Least-squares matrix: full | 6 restraints |
R[F2 > 2σ(F2)] = 0.073 | w = 1/[σ2(Fo2) + (0.1072P)2 + 857.5312P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.231 | (Δ/σ)max < 0.001 |
S = 1.20 | Δρmax = 4.13 e Å−3 |
1013 reflections | Δρmin = −2.80 e Å−3 |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Pb1 | 0.22507 (12) | 0.500000 | 0.500000 | 0.0237 (9) | |
Pb2 | 0.10858 (10) | 0.22925 (10) | 0.000000 | 0.0356 (9) | |
Se1 | 0.1838 (2) | 0.3915 (2) | 0.000000 | 0.0209 (14) | |
Se2 | 0.0783 (2) | 0.1446 (3) | 0.500000 | 0.0236 (14) | |
Cu1 | 0.19745 (17) | 0.12228 (19) | −0.2505 (7) | 0.0210 (12) | |
Cu2 | 0.1377 (4) | 0.000000 | 0.500000 | 0.022 (2) | |
Cu3 | 0.250000 | 0.250000 | 0.000000 | 0.022 (2) | |
O1 | 0.1977 (12) | 0.1786 (15) | 0.000000 | 0.021 (9) | |
O2 | 0.3046 (13) | 0.4319 (15) | 0.500000 | 0.019 (8) | |
O3 | 0.0726 (14) | 0.0600 (17) | 0.500000 | 0.029 (9) | |
O4 | 0.1855 (14) | 0.3079 (16) | 0.000000 | 0.026 (9) | |
O5 | 0.1218 (10) | 0.1573 (12) | 0.291 (4) | 0.031 (7) | |
O6 | 0.2264 (12) | 0.4087 (12) | 0.216 (5) | 0.044 (8) | |
Br1 | 0.1454 (5) | 0.000000 | 0.000000 | 0.050 (3) | |
Br2 | 0.000000 | 0.1202 (7) | 0.000000 | 0.074 (4) | |
Pb3A | 0.000000 | 0.000000 | 0.2913 (12) | 0.0373 (18) | 0.5 |
Pb3B | 0.0552 (12) | 0.000000 | 0.000000 | 0.043 (7)* | 0.125 |
Br3 | 0.0914 (4) | 0.3131 (5) | 0.500000 | 0.022 (2) | 0.5 |
Br4 | 0.1881 (9) | 0.3280 (12) | 0.500000 | 0.101 (7) | 0.5 |
Cu4 | 0.250000 | 0.250000 | 0.500000 | 0.029 (2) | |
Pb4 | 0.000000 | 0.4069 (5) | 0.500000 | 0.128 (4) | 0.64 |
Br6 | 0.4190 (6) | 0.000000 | 0.254 (6) | 0.144 (14) | 0.5 |
Br7 | 0.000000 | 0.3485 (9) | 0.000000 | 0.051 (5) | 0.54 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pb1 | 0.0215 (17) | 0.0262 (17) | 0.0233 (18) | 0.000 | 0.000 | 0.000 |
Pb2 | 0.0367 (16) | 0.0292 (14) | 0.0410 (17) | −0.0002 (10) | 0.000 | 0.000 |
Se1 | 0.021 (3) | 0.020 (3) | 0.021 (3) | 0.003 (2) | 0.000 | 0.000 |
Se2 | 0.017 (3) | 0.030 (3) | 0.024 (3) | 0.003 (2) | 0.000 | 0.000 |
Cu1 | 0.023 (3) | 0.022 (2) | 0.019 (3) | 0.0018 (19) | −0.001 (2) | −0.002 (2) |
Cu2 | 0.020 (5) | 0.022 (5) | 0.025 (5) | 0.000 | 0.000 | 0.000 |
Cu3 | 0.018 (5) | 0.016 (4) | 0.032 (6) | −0.004 (4) | 0.000 | 0.000 |
O1 | 0.007 (17) | 0.017 (18) | 0.04 (2) | −0.001 (15) | 0.000 | 0.000 |
O2 | 0.020 (19) | 0.012 (18) | 0.02 (2) | 0.006 (15) | 0.000 | 0.000 |
O3 | 0.02 (2) | 0.020 (18) | 0.04 (2) | −0.001 (16) | 0.000 | 0.000 |
O4 | 0.026 (12) | 0.024 (12) | 0.029 (12) | −0.007 (9) | 0.000 | 0.000 |
O5 | 0.028 (15) | 0.047 (16) | 0.019 (15) | 0.006 (13) | −0.004 (14) | 0.004 (13) |
O6 | 0.054 (18) | 0.032 (15) | 0.05 (2) | 0.018 (14) | −0.012 (17) | −0.035 (15) |
Br1 | 0.091 (8) | 0.029 (5) | 0.030 (5) | 0.000 | 0.000 | 0.000 |
Br2 | 0.026 (5) | 0.152 (12) | 0.042 (7) | 0.000 | 0.000 | 0.000 |
Pb3A | 0.039 (4) | 0.033 (4) | 0.040 (4) | 0.000 | 0.000 | 0.000 |
Br3 | 0.015 (5) | 0.021 (5) | 0.029 (6) | 0.003 (4) | 0.000 | 0.000 |
Br4 | 0.080 (13) | 0.120 (16) | 0.103 (16) | 0.027 (12) | 0.000 | 0.000 |
Cu4 | 0.040 (6) | 0.030 (5) | 0.016 (5) | −0.008 (5) | 0.000 | 0.000 |
Pb4 | 0.067 (6) | 0.109 (7) | 0.207 (14) | 0.000 | 0.000 | 0.000 |
Br6 | 0.039 (9) | 0.050 (9) | 0.34 (4) | 0.000 | −0.064 (16) | 0.000 |
Br7 | 0.039 (10) | 0.052 (11) | 0.061 (13) | 0.000 | 0.000 | 0.000 |
Pb1—O2i | 2.35 (3) | Cu1—Cu4x | 3.281 (4) |
Pb1—O2 | 2.35 (3) | Cu1—Cu3 | 3.284 (4) |
Pb1—O6 | 2.58 (2) | Cu2—O2iv | 1.95 (3) |
Pb1—O6i | 2.58 (2) | Cu2—O2xv | 1.95 (3) |
Pb1—O6ii | 2.58 (2) | Cu2—O3xvi | 1.98 (3) |
Pb1—O6iii | 2.58 (2) | Cu2—O3 | 1.98 (3) |
Pb1—Cu2iv | 3.287 (9) | Cu2—Br1xii | 3.162 (2) |
Pb1—Cu1v | 3.473 (5) | Cu2—Br1 | 3.162 (2) |
Pb1—Cu1vi | 3.473 (5) | Cu3—O1vii | 1.91 (3) |
Pb1—Cu1vii | 3.473 (5) | Cu3—O1 | 1.91 (3) |
Pb1—Cu1viii | 3.473 (5) | Cu3—O4vii | 1.94 (3) |
Pb1—Br4 | 3.60 (2) | Cu3—O4 | 1.94 (3) |
Pb2—O5 | 2.37 (2) | Cu3—Cu4x | 3.157 (2) |
Pb2—O5ix | 2.37 (2) | Cu3—Cu4 | 3.157 (2) |
Pb2—O1 | 2.37 (3) | O3—Pb3Axiii | 2.50 (3) |
Pb2—O4 | 2.44 (3) | O3—Pb3A | 2.50 (3) |
Pb2—Br2 | 3.412 (10) | O6—Br4 | 2.59 (4) |
Pb2—Cu3 | 3.412 (3) | Br1—Pb3B | 2.16 (3) |
Pb2—Cu1 | 3.425 (5) | Br1—Pb3A | 3.937 (11) |
Pb2—Cu1ix | 3.425 (5) | Br1—Pb3Axvii | 3.937 (11) |
Pb2—Br7 | 3.549 (13) | Br1—Br2 | 4.249 (13) |
Pb2—Br3x | 3.608 (5) | Br1—Br2xvii | 4.249 (13) |
Pb2—Br3 | 3.608 (5) | Br2—Pb3B | 2.772 (19) |
Pb2—Se2 | 3.665 (3) | Br2—Pb3Bxvii | 2.772 (19) |
Se1—O4 | 1.70 (3) | Br2—Pb3A | 3.053 (13) |
Se1—O6ix | 1.74 (3) | Br2—Pb3Axvii | 3.053 (13) |
Se1—O6 | 1.74 (3) | Pb3A—Pb3B | 2.264 (18) |
Se1—Cu1vii | 3.265 (6) | Pb3A—Pb3Bxvii | 2.264 (18) |
Se1—Cu1xi | 3.265 (6) | Pb3A—Pb3Axiii | 2.635 (15) |
Se1—Cu3 | 3.277 (5) | Pb3A—Pb3Axvii | 3.678 (15) |
Se1—Br4x | 3.411 (9) | Pb3B—Pb3Bxvii | 2.64 (6) |
Se1—Br4 | 3.411 (9) | Br3—Br4 | 2.34 (2) |
Se1—Br6vii | 3.670 (17) | Br3—Pb4 | 2.899 (12) |
Se1—Br6xi | 3.670 (17) | Br3—Br7xii | 3.907 (7) |
Se2—O5iii | 1.70 (3) | Br3—Br7 | 3.907 (7) |
Se2—O5 | 1.70 (3) | Br3—Cu4 | 4.007 (10) |
Se2—O3 | 1.72 (3) | Br3—Br6iv | 4.103 (17) |
Se2—Cu2 | 3.257 (7) | Br3—Br6xi | 4.103 (17) |
Se2—Cu1xii | 3.290 (6) | Br4—Cu4 | 2.17 (2) |
Se2—Cu1ix | 3.290 (6) | Pb4—Br6iv | 3.120 (19) |
Se2—Br3 | 3.429 (12) | Pb4—Br6xi | 3.120 (19) |
Se2—Br2xii | 3.704 (4) | Pb4—Br6xviii | 3.120 (19) |
Se2—Br2 | 3.704 (4) | Pb4—Br6xix | 3.120 (19) |
Se2—Pb3Axiii | 3.720 (6) | Pb4—Br7 | 3.371 (8) |
Cu1—O2vii | 1.921 (17) | Pb4—Br7xii | 3.371 (8) |
Cu1—O6vii | 1.94 (3) | Pb4—Pb4xx | 3.77 (2) |
Cu1—O1 | 1.950 (19) | Br6—Br6iii | 3.11 (7) |
Cu1—O5ix | 1.96 (2) | Br6—Br6ix | 3.20 (7) |
Cu1—Cu1xiv | 3.150 (9) | Br6—Br6xxi | 3.88 (3) |
Cu1—Cu1ix | 3.163 (9) | Br6—Br7vii | 3.97 (2) |
Cu1—Br1 | 3.193 (6) | Br6—Br7xxii | 3.97 (2) |
Cu1—Cu2x | 3.267 (6) | ||
O2i—Pb1—O2 | 71.8 (15) | Cu1xxv—Br1—Pb1iv | 94.6 (2) |
O2i—Pb1—O6 | 114.3 (9) | Cu1xxiii—Br1—Pb1iv | 51.18 (14) |
O2—Pb1—O6 | 64.4 (8) | Cu1—Br1—Pb1iv | 94.6 (2) |
O2i—Pb1—O6i | 64.4 (8) | Pb3A—Br1—Pb1iv | 106.65 (11) |
O2—Pb1—O6i | 114.3 (9) | Pb3Axvii—Br1—Pb1iv | 162.3 (2) |
O6—Pb1—O6i | 178.6 (13) | Br2—Br1—Pb1iv | 125.04 (9) |
O2i—Pb1—O6ii | 64.4 (8) | Br2xvii—Br1—Pb1iv | 125.04 (9) |
O2—Pb1—O6ii | 114.3 (9) | Pb3B—Br2—Pb3Bxvii | 56.9 (11) |
O6—Pb1—O6ii | 91.8 (14) | Pb3B—Br2—Pb3A | 45.4 (4) |
O6i—Pb1—O6ii | 88.2 (14) | Pb3Bxvii—Br2—Pb3A | 45.4 (4) |
O2i—Pb1—O6iii | 114.3 (9) | Pb3B—Br2—Pb3Axvii | 45.4 (4) |
O2—Pb1—O6iii | 64.4 (8) | Pb3Bxvii—Br2—Pb3Axvii | 45.4 (4) |
O6—Pb1—O6iii | 88.2 (14) | Pb3A—Br2—Pb3Axvii | 74.1 (4) |
O6i—Pb1—O6iii | 91.8 (14) | Pb3B—Br2—Pb2 | 101.9 (5) |
O6ii—Pb1—O6iii | 178.6 (13) | Pb3Bxvii—Br2—Pb2 | 158.8 (6) |
O2i—Pb1—Cu2iv | 35.9 (8) | Pb3A—Br2—Pb2 | 121.12 (8) |
O2—Pb1—Cu2iv | 35.9 (8) | Pb3Axvii—Br2—Pb2 | 121.12 (8) |
O6—Pb1—Cu2iv | 89.3 (6) | Pb3B—Br2—Pb2xxvi | 158.8 (6) |
O6i—Pb1—Cu2iv | 89.3 (6) | Pb3Bxvii—Br2—Pb2xxvi | 101.9 (5) |
O6ii—Pb1—Cu2iv | 89.3 (6) | Pb3A—Br2—Pb2xxvi | 121.12 (8) |
O6iii—Pb1—Cu2iv | 89.3 (6) | Pb3Axvii—Br2—Pb2xxvi | 121.12 (8) |
O2i—Pb1—Cu1v | 31.7 (4) | Pb2—Br2—Pb2xxvi | 99.3 (4) |
O2—Pb1—Cu1v | 89.2 (7) | Pb3B—Br2—Se2xxvii | 111.0 (3) |
O6—Pb1—Cu1v | 145.2 (7) | Pb3Bxvii—Br2—Se2xxvii | 82.9 (3) |
O6i—Pb1—Cu1v | 33.4 (6) | Pb3A—Br2—Se2xxvii | 128.3 (4) |
O6ii—Pb1—Cu1v | 78.2 (6) | Pb3Axvii—Br2—Se2xxvii | 65.98 (14) |
O6iii—Pb1—Cu1v | 101.0 (7) | Pb2—Br2—Se2xxvii | 107.4 (3) |
Cu2iv—Pb1—Cu1v | 57.72 (8) | Pb2xxvi—Br2—Se2xxvii | 61.84 (13) |
O2i—Pb1—Cu1vi | 31.7 (4) | Pb3B—Br2—Se2xxvi | 111.0 (3) |
O2—Pb1—Cu1vi | 89.2 (7) | Pb3Bxvii—Br2—Se2xxvi | 82.9 (3) |
O6—Pb1—Cu1vi | 101.0 (7) | Pb3A—Br2—Se2xxvi | 65.98 (14) |
O6i—Pb1—Cu1vi | 78.2 (6) | Pb3Axvii—Br2—Se2xxvi | 128.3 (4) |
O6ii—Pb1—Cu1vi | 33.4 (6) | Pb2—Br2—Se2xxvi | 107.4 (3) |
O6iii—Pb1—Cu1vi | 145.2 (7) | Pb2xxvi—Br2—Se2xxvi | 61.84 (13) |
Cu2iv—Pb1—Cu1vi | 57.72 (8) | Se2xxvii—Br2—Se2xxvi | 116.88 (17) |
Cu1v—Pb1—Cu1vi | 53.93 (15) | Pb3B—Br2—Se2x | 82.9 (3) |
O2i—Pb1—Cu1vii | 89.2 (7) | Pb3Bxvii—Br2—Se2x | 111.0 (3) |
O2—Pb1—Cu1vii | 31.7 (4) | Pb3A—Br2—Se2x | 128.3 (4) |
O6—Pb1—Cu1vii | 33.4 (6) | Pb3Axvii—Br2—Se2x | 65.98 (14) |
O6i—Pb1—Cu1vii | 145.2 (7) | Pb2—Br2—Se2x | 61.84 (13) |
O6ii—Pb1—Cu1vii | 101.0 (7) | Pb2xxvi—Br2—Se2x | 107.4 (3) |
O6iii—Pb1—Cu1vii | 78.2 (6) | Se2xxvii—Br2—Se2x | 60.81 (15) |
Cu2iv—Pb1—Cu1vii | 57.72 (8) | Se2xxvi—Br2—Se2x | 164.7 (5) |
Cu1v—Pb1—Cu1vii | 115.44 (16) | Pb3B—Br2—Se2 | 82.9 (3) |
Cu1vi—Pb1—Cu1vii | 91.05 (15) | Pb3Bxvii—Br2—Se2 | 111.0 (3) |
O2i—Pb1—Cu1viii | 89.2 (7) | Pb3A—Br2—Se2 | 65.98 (14) |
O2—Pb1—Cu1viii | 31.7 (4) | Pb3Axvii—Br2—Se2 | 128.3 (4) |
O6—Pb1—Cu1viii | 78.2 (6) | Pb2—Br2—Se2 | 61.84 (13) |
O6i—Pb1—Cu1viii | 101.0 (7) | Pb2xxvi—Br2—Se2 | 107.4 (3) |
O6ii—Pb1—Cu1viii | 145.2 (7) | Se2xxvii—Br2—Se2 | 164.7 (5) |
O6iii—Pb1—Cu1viii | 33.4 (6) | Se2xxvi—Br2—Se2 | 60.81 (15) |
Cu2iv—Pb1—Cu1viii | 57.72 (8) | Se2x—Br2—Se2 | 116.88 (17) |
Cu1v—Pb1—Cu1viii | 91.05 (15) | Pb3B—Br2—Br1xvii | 83.5 (6) |
Cu1vi—Pb1—Cu1viii | 115.44 (16) | Pb3Bxvii—Br2—Br1xvii | 26.5 (5) |
Cu1vii—Pb1—Cu1viii | 53.93 (15) | Pb3A—Br2—Br1xvii | 62.8 (2) |
O2i—Pb1—Br4 | 140.2 (8) | Pb3Axvii—Br2—Br1xvii | 62.8 (2) |
O2—Pb1—Br4 | 68.3 (8) | Pb2—Br2—Br1xvii | 174.6 (4) |
O6—Pb1—Br4 | 46.1 (7) | Pb2xxvi—Br2—Br1xvii | 75.35 (11) |
O6i—Pb1—Br4 | 134.4 (7) | Se2xxvii—Br2—Br1xvii | 70.23 (12) |
O6ii—Pb1—Br4 | 134.4 (7) | Se2xxvi—Br2—Br1xvii | 70.23 (12) |
O6iii—Pb1—Br4 | 46.1 (7) | Se2x—Br2—Br1xvii | 119.41 (18) |
Cu2iv—Pb1—Br4 | 104.2 (3) | Se2—Br2—Br1xvii | 119.41 (18) |
Cu1v—Pb1—Br4 | 145.4 (2) | Pb3B—Br2—Br1 | 26.5 (5) |
Cu1vi—Pb1—Br4 | 145.4 (2) | Pb3Bxvii—Br2—Br1 | 83.5 (6) |
Cu1vii—Pb1—Br4 | 55.9 (3) | Pb3A—Br2—Br1 | 62.8 (2) |
Cu1viii—Pb1—Br4 | 55.9 (3) | Pb3Axvii—Br2—Br1 | 62.8 (2) |
O5—Pb2—O5ix | 101.7 (12) | Pb2—Br2—Br1 | 75.35 (11) |
O5—Pb2—O1 | 67.2 (7) | Pb2xxvi—Br2—Br1 | 174.6 (4) |
O5ix—Pb2—O1 | 67.2 (7) | Se2xxvii—Br2—Br1 | 119.41 (18) |
O5—Pb2—O4 | 107.6 (8) | Se2xxvi—Br2—Br1 | 119.41 (18) |
O5ix—Pb2—O4 | 107.6 (8) | Se2x—Br2—Br1 | 70.23 (12) |
O1—Pb2—O4 | 66.6 (11) | Se2—Br2—Br1 | 70.23 (12) |
O5—Pb2—Br2 | 72.7 (6) | Br1xvii—Br2—Br1 | 110.0 (4) |
O5ix—Pb2—Br2 | 72.7 (6) | Pb3B—Pb3A—Pb3Bxvii | 71.4 (12) |
O1—Pb2—Br2 | 113.9 (8) | Pb3B—Pb3A—O3 | 91.3 (7) |
O4—Pb2—Br2 | 179.5 (8) | Pb3Bxvii—Pb3A—O3 | 146.6 (7) |
O5—Pb2—Cu3 | 86.8 (6) | Pb3B—Pb3A—O3xvi | 91.3 (7) |
O5ix—Pb2—Cu3 | 86.8 (6) | Pb3Bxvii—Pb3A—O3xvi | 146.6 (7) |
O1—Pb2—Cu3 | 32.8 (7) | O3—Pb3A—O3xvi | 58.3 (15) |
O4—Pb2—Cu3 | 33.8 (8) | Pb3B—Pb3A—O3xiii | 146.6 (7) |
Br2—Pb2—Cu3 | 146.7 (2) | Pb3Bxvii—Pb3A—O3xiii | 91.3 (7) |
O5—Pb2—Cu1 | 83.4 (6) | O3—Pb3A—O3xiii | 116.3 (9) |
O5ix—Pb2—Cu1 | 33.7 (6) | O3xvi—Pb3A—O3xiii | 88.2 (14) |
O1—Pb2—Cu1 | 33.5 (4) | Pb3B—Pb3A—O3xxvi | 146.6 (7) |
O4—Pb2—Cu1 | 86.8 (7) | Pb3Bxvii—Pb3A—O3xxvi | 91.3 (7) |
Br2—Pb2—Cu1 | 93.64 (19) | O3—Pb3A—O3xxvi | 88.2 (14) |
Cu3—Pb2—Cu1 | 57.42 (8) | O3xvi—Pb3A—O3xxvi | 116.3 (9) |
O5—Pb2—Cu1ix | 33.7 (6) | O3xiii—Pb3A—O3xxvi | 58.3 (15) |
O5ix—Pb2—Cu1ix | 83.4 (6) | Pb3B—Pb3A—Pb3Axiii | 144.3 (6) |
O1—Pb2—Cu1ix | 33.5 (4) | Pb3Bxvii—Pb3A—Pb3Axiii | 144.3 (6) |
O4—Pb2—Cu1ix | 86.8 (7) | O3—Pb3A—Pb3Axiii | 58.2 (4) |
Br2—Pb2—Cu1ix | 93.64 (19) | O3xvi—Pb3A—Pb3Axiii | 58.2 (4) |
Cu3—Pb2—Cu1ix | 57.42 (8) | O3xiii—Pb3A—Pb3Axiii | 58.2 (4) |
Cu1—Pb2—Cu1ix | 55.01 (15) | O3xxvi—Pb3A—Pb3Axiii | 58.2 (4) |
O5—Pb2—Br7 | 121.2 (6) | Pb3B—Pb3A—Br2 | 60.7 (3) |
O5ix—Pb2—Br7 | 121.2 (6) | Pb3Bxvii—Pb3A—Br2 | 60.7 (3) |
O1—Pb2—Br7 | 162.8 (8) | O3—Pb3A—Br2 | 85.9 (6) |
O4—Pb2—Br7 | 96.2 (8) | O3xvi—Pb3A—Br2 | 135.0 (7) |
Br2—Pb2—Br7 | 83.3 (3) | O3xiii—Pb3A—Br2 | 135.0 (7) |
Cu3—Pb2—Br7 | 130.0 (2) | O3xxvi—Pb3A—Br2 | 85.9 (6) |
Cu1—Pb2—Br7 | 152.38 (8) | Pb3Axiii—Pb3A—Br2 | 127.0 (2) |
Cu1ix—Pb2—Br7 | 152.38 (8) | Pb3B—Pb3A—Br2xvii | 60.7 (3) |
O5—Pb2—Br3x | 169.8 (6) | Pb3Bxvii—Pb3A—Br2xvii | 60.7 (3) |
O5ix—Pb2—Br3x | 68.1 (6) | O3—Pb3A—Br2xvii | 135.0 (7) |
O1—Pb2—Br3x | 107.9 (3) | O3xvi—Pb3A—Br2xvii | 85.9 (6) |
O4—Pb2—Br3x | 77.2 (4) | O3xiii—Pb3A—Br2xvii | 85.9 (6) |
Br2—Pb2—Br3x | 102.59 (18) | O3xxvi—Pb3A—Br2xvii | 135.0 (7) |
Cu3—Pb2—Br3x | 93.16 (16) | Pb3Axiii—Pb3A—Br2xvii | 127.0 (2) |
Cu1—Pb2—Br3x | 87.99 (16) | Br2—Pb3A—Br2xvii | 105.9 (4) |
Cu1ix—Pb2—Br3x | 140.62 (17) | Pb3B—Pb3A—Cu2xiii | 147.5 (6) |
Br7—Pb2—Br3x | 66.16 (16) | Pb3Bxvii—Pb3A—Cu2xiii | 76.1 (6) |
O5—Pb2—Br3 | 68.1 (6) | O3—Pb3A—Cu2xiii | 116.8 (6) |
O5ix—Pb2—Br3 | 169.8 (6) | O3xvi—Pb3A—Cu2xiii | 116.8 (6) |
O1—Pb2—Br3 | 107.9 (3) | O3xiii—Pb3A—Cu2xiii | 32.6 (8) |
O4—Pb2—Br3 | 77.2 (4) | O3xxvi—Pb3A—Cu2xiii | 32.6 (8) |
Br2—Pb2—Br3 | 102.59 (18) | Pb3Axiii—Pb3A—Cu2xiii | 68.21 (12) |
Cu3—Pb2—Br3 | 93.16 (16) | Br2—Pb3A—Cu2xiii | 102.92 (7) |
Cu1—Pb2—Br3 | 140.62 (17) | Br2xvii—Pb3A—Cu2xiii | 102.92 (7) |
Cu1ix—Pb2—Br3 | 87.99 (16) | Pb3B—Pb3A—Cu2 | 76.1 (6) |
Br7—Pb2—Br3 | 66.16 (16) | Pb3Bxvii—Pb3A—Cu2 | 147.5 (6) |
Br3x—Pb2—Br3 | 122.0 (3) | O3—Pb3A—Cu2 | 32.6 (8) |
O5—Pb2—Se2 | 21.5 (6) | O3xvi—Pb3A—Cu2 | 32.6 (8) |
O5ix—Pb2—Se2 | 113.9 (6) | O3xiii—Pb3A—Cu2 | 116.8 (6) |
O1—Pb2—Se2 | 88.6 (4) | O3xxvi—Pb3A—Cu2 | 116.8 (6) |
O4—Pb2—Se2 | 117.1 (2) | Pb3Axiii—Pb3A—Cu2 | 68.21 (12) |
Br2—Pb2—Se2 | 63.01 (10) | Br2—Pb3A—Cu2 | 102.92 (7) |
Cu3—Pb2—Se2 | 104.71 (9) | Br2xvii—Pb3A—Cu2 | 102.92 (7) |
Cu1—Pb2—Se2 | 102.95 (12) | Cu2xiii—Pb3A—Cu2 | 136.4 (2) |
Cu1ix—Pb2—Se2 | 55.16 (11) | Pb3B—Pb3A—Pb3Axvii | 35.7 (6) |
Br7—Pb2—Se2 | 100.02 (14) | Pb3Bxvii—Pb3A—Pb3Axvii | 35.7 (6) |
Br3x—Pb2—Se2 | 162.04 (19) | O3—Pb3A—Pb3Axvii | 121.8 (4) |
Br3—Pb2—Se2 | 56.26 (17) | O3xvi—Pb3A—Pb3Axvii | 121.8 (4) |
O4—Se1—O6ix | 100.7 (11) | O3xiii—Pb3A—Pb3Axvii | 121.8 (4) |
O4—Se1—O6 | 100.7 (11) | O3xxvi—Pb3A—Pb3Axvii | 121.8 (4) |
O6ix—Se1—O6 | 103 (2) | Pb3Axiii—Pb3A—Pb3Axvii | 180.0 |
O4—Se1—Cu1vii | 83.9 (10) | Br2—Pb3A—Pb3Axvii | 53.0 (2) |
O6ix—Se1—Cu1vii | 83.5 (10) | Br2xvii—Pb3A—Pb3Axvii | 53.0 (2) |
O6—Se1—Cu1vii | 29.1 (9) | Cu2xiii—Pb3A—Pb3Axvii | 111.79 (12) |
O4—Se1—Cu1xi | 83.9 (10) | Cu2—Pb3A—Pb3Axvii | 111.79 (12) |
O6ix—Se1—Cu1xi | 29.1 (9) | Br1—Pb3B—Pb3A | 125.7 (6) |
O6—Se1—Cu1xi | 83.5 (10) | Br1—Pb3B—Pb3Axvii | 125.7 (6) |
Cu1vii—Se1—Cu1xi | 57.95 (18) | Pb3A—Pb3B—Pb3Axvii | 108.6 (12) |
O4—Se1—Cu3 | 27.6 (12) | Br1—Pb3B—Pb3Bxvii | 180.0 |
O6ix—Se1—Cu3 | 83.8 (8) | Pb3A—Pb3B—Pb3Bxvii | 54.3 (6) |
O6—Se1—Cu3 | 83.8 (8) | Pb3Axvii—Pb3B—Pb3Bxvii | 54.3 (6) |
Cu1vii—Se1—Cu3 | 60.27 (11) | Br1—Pb3B—Br2 | 118.5 (6) |
Cu1xi—Se1—Cu3 | 60.27 (11) | Pb3A—Pb3B—Br2 | 73.9 (5) |
O4—Se1—Br4x | 67.8 (4) | Pb3Axvii—Pb3B—Br2 | 73.9 (5) |
O6ix—Se1—Br4x | 48.1 (11) | Pb3Bxvii—Pb3B—Br2 | 61.5 (6) |
O6—Se1—Br4x | 141.6 (10) | Br1—Pb3B—Br2xvii | 118.5 (6) |
Cu1vii—Se1—Br4x | 112.9 (4) | Pb3A—Pb3B—Br2xvii | 73.9 (5) |
Cu1xi—Se1—Br4x | 59.5 (4) | Pb3Axvii—Pb3B—Br2xvii | 73.9 (5) |
Cu3—Se1—Br4x | 69.8 (3) | Pb3Bxvii—Pb3B—Br2xvii | 61.5 (6) |
O4—Se1—Br4 | 67.8 (4) | Br2—Pb3B—Br2xvii | 123.1 (11) |
O6ix—Se1—Br4 | 141.6 (10) | Br1—Pb3B—Cu2x | 58.0 (4) |
O6—Se1—Br4 | 48.1 (11) | Pb3A—Pb3B—Cu2x | 176.3 (10) |
Cu1vii—Se1—Br4 | 59.5 (4) | Pb3Axvii—Pb3B—Cu2x | 67.7 (3) |
Cu1xi—Se1—Br4 | 112.9 (4) | Pb3Bxvii—Pb3B—Cu2x | 122.0 (4) |
Cu3—Se1—Br4 | 69.8 (3) | Br2—Pb3B—Cu2x | 104.64 (13) |
Br4x—Se1—Br4 | 135.5 (7) | Br2xvii—Pb3B—Cu2x | 104.64 (13) |
O4—Se1—Br6vii | 127.9 (10) | Br1—Pb3B—Cu2 | 58.0 (4) |
O6ix—Se1—Br6vii | 86.1 (10) | Pb3A—Pb3B—Cu2 | 67.7 (3) |
O6—Se1—Br6vii | 128.0 (9) | Pb3Axvii—Pb3B—Cu2 | 176.3 (10) |
Cu1vii—Se1—Br6vii | 147.9 (2) | Pb3Bxvii—Pb3B—Cu2 | 122.0 (4) |
Cu1xi—Se1—Br6vii | 115.1 (5) | Br2—Pb3B—Cu2 | 104.64 (13) |
Cu3—Se1—Br6vii | 148.1 (4) | Br2xvii—Pb3B—Cu2 | 104.64 (13) |
Br4x—Se1—Br6vii | 80.9 (6) | Cu2x—Pb3B—Cu2 | 115.9 (8) |
Br4—Se1—Br6vii | 130.6 (6) | Br1—Pb3B—Se2xxiii | 82.7 (4) |
O4—Se1—Br6xi | 127.9 (10) | Pb3A—Pb3B—Se2xxiii | 131.7 (5) |
O6ix—Se1—Br6xi | 128.0 (9) | Pb3Axvii—Pb3B—Se2xxiii | 58.94 (12) |
O6—Se1—Br6xi | 86.1 (10) | Pb3Bxvii—Pb3B—Se2xxiii | 97.3 (4) |
Cu1vii—Se1—Br6xi | 115.1 (5) | Br2—Pb3B—Se2xxiii | 130.8 (4) |
Cu1xi—Se1—Br6xi | 147.9 (2) | Br2xvii—Pb3B—Se2xxiii | 57.83 (10) |
Cu3—Se1—Br6xi | 148.1 (4) | Cu2x—Pb3B—Se2xxiii | 46.85 (12) |
Br4x—Se1—Br6xi | 130.6 (6) | Cu2—Pb3B—Se2xxiii | 123.3 (5) |
Br4—Se1—Br6xi | 80.9 (6) | Br1—Pb3B—Se2xvi | 82.7 (4) |
Br6vii—Se1—Br6xi | 51.8 (11) | Pb3A—Pb3B—Se2xvi | 58.94 (12) |
O4—Se1—Pb2 | 30.1 (12) | Pb3Axvii—Pb3B—Se2xvi | 131.7 (5) |
O6ix—Se1—Pb2 | 117.2 (10) | Pb3Bxvii—Pb3B—Se2xvi | 97.3 (4) |
O6—Se1—Pb2 | 117.2 (10) | Br2—Pb3B—Se2xvi | 130.8 (4) |
Cu1vii—Se1—Pb2 | 110.07 (15) | Br2xvii—Pb3B—Se2xvi | 57.83 (10) |
Cu1xi—Se1—Pb2 | 110.07 (15) | Cu2x—Pb3B—Se2xvi | 123.3 (5) |
Cu3—Se1—Pb2 | 57.63 (9) | Cu2—Pb3B—Se2xvi | 46.85 (12) |
Br4x—Se1—Pb2 | 71.5 (4) | Se2xxiii—Pb3B—Se2xvi | 93.25 (15) |
Br4—Se1—Pb2 | 71.5 (4) | Br1—Pb3B—Se2x | 82.7 (4) |
Br6vii—Se1—Pb2 | 101.71 (19) | Pb3A—Pb3B—Se2x | 131.7 (5) |
Br6xi—Se1—Pb2 | 101.71 (19) | Pb3Axvii—Pb3B—Se2x | 58.94 (12) |
O4—Se1—Pb1 | 123.2 (4) | Pb3Bxvii—Pb3B—Se2x | 97.3 (4) |
O6ix—Se1—Pb1 | 111.5 (10) | Br2—Pb3B—Se2x | 57.83 (10) |
O6—Se1—Pb1 | 28.3 (8) | Br2xvii—Pb3B—Se2x | 130.8 (4) |
Cu1vii—Se1—Pb1 | 56.35 (10) | Cu2x—Pb3B—Se2x | 46.85 (12) |
Cu1xi—Se1—Pb1 | 102.47 (15) | Cu2—Pb3B—Se2x | 123.3 (5) |
Cu3—Se1—Pb1 | 111.37 (10) | Se2xxiii—Pb3B—Se2x | 84.88 (14) |
Br4x—Se1—Pb1 | 159.6 (4) | Se2xvi—Pb3B—Se2x | 165.3 (8) |
Br4—Se1—Pb1 | 57.7 (4) | Br1—Pb3B—Se2 | 82.7 (4) |
Br6vii—Se1—Pb1 | 100.5 (4) | Pb3A—Pb3B—Se2 | 58.94 (12) |
Br6xi—Se1—Pb1 | 59.2 (4) | Pb3Axvii—Pb3B—Se2 | 131.7 (5) |
Pb2—Se1—Pb1 | 127.23 (6) | Pb3Bxvii—Pb3B—Se2 | 97.3 (4) |
O5iii—Se2—O5 | 101.9 (17) | Br2—Pb3B—Se2 | 57.83 (10) |
O5iii—Se2—O3 | 101.5 (11) | Br2xvii—Pb3B—Se2 | 130.8 (4) |
O5—Se2—O3 | 101.5 (11) | Cu2x—Pb3B—Se2 | 123.3 (5) |
O5iii—Se2—Cu2 | 82.5 (8) | Cu2—Pb3B—Se2 | 46.85 (12) |
O5—Se2—Cu2 | 82.5 (8) | Se2xxiii—Pb3B—Se2 | 165.3 (8) |
O3—Se2—Cu2 | 30.4 (11) | Se2xvi—Pb3B—Se2 | 84.88 (14) |
O5iii—Se2—Cu1xii | 28.2 (8) | Se2x—Pb3B—Se2 | 93.25 (15) |
O5—Se2—Cu1xii | 82.1 (8) | Br4—Br3—Pb4 | 131.6 (7) |
O3—Se2—Cu1xii | 86.1 (10) | Br4—Br3—Se2 | 102.7 (7) |
Cu2—Se2—Cu1xii | 59.86 (16) | Pb4—Br3—Se2 | 125.8 (4) |
O5iii—Se2—Cu1ix | 82.1 (8) | Br4—Br3—Pb2xii | 87.0 (3) |
O5—Se2—Cu1ix | 28.2 (8) | Pb4—Br3—Pb2xii | 113.26 (18) |
O3—Se2—Cu1ix | 86.1 (10) | Se2—Br3—Pb2xii | 62.71 (14) |
Cu2—Se2—Cu1ix | 59.86 (16) | Br4—Br3—Pb2 | 87.0 (3) |
Cu1xii—Se2—Cu1ix | 57.21 (18) | Pb4—Br3—Pb2 | 113.26 (18) |
O5iii—Se2—Br3 | 78.1 (9) | Se2—Br3—Pb2 | 62.71 (14) |
O5—Se2—Br3 | 78.1 (9) | Pb2xii—Br3—Pb2 | 122.0 (3) |
O3—Se2—Br3 | 179.3 (12) | Br4—Br3—Br7xii | 122.1 (2) |
Cu2—Se2—Br3 | 148.9 (3) | Pb4—Br3—Br7xii | 57.1 (2) |
Cu1xii—Se2—Br3 | 93.3 (2) | Se2—Br3—Br7xii | 97.6 (3) |
Cu1ix—Se2—Br3 | 93.3 (2) | Pb2xii—Br3—Br7xii | 56.20 (19) |
O5iii—Se2—Pb2 | 118.5 (9) | Pb2—Br3—Br7xii | 149.0 (3) |
O5—Se2—Pb2 | 30.6 (8) | Br4—Br3—Br7 | 122.1 (2) |
O3—Se2—Pb2 | 118.8 (2) | Pb4—Br3—Br7 | 57.1 (2) |
Cu2—Se2—Pb2 | 109.57 (11) | Se2—Br3—Br7 | 97.6 (3) |
Cu1xii—Se2—Pb2 | 107.77 (15) | Pb2xii—Br3—Br7 | 149.0 (3) |
Cu1ix—Se2—Pb2 | 58.71 (10) | Pb2—Br3—Br7 | 56.20 (19) |
Br3—Se2—Pb2 | 61.03 (9) | Br7xii—Br3—Br7 | 107.8 (3) |
O5iii—Se2—Pb2xii | 30.6 (8) | Br4—Br3—Cu4 | 26.0 (6) |
O5—Se2—Pb2xii | 118.5 (9) | Pb4—Br3—Cu4 | 157.6 (4) |
O3—Se2—Pb2xii | 118.8 (2) | Se2—Br3—Cu4 | 76.6 (2) |
Cu2—Se2—Pb2xii | 109.57 (11) | Pb2xii—Br3—Cu4 | 75.03 (16) |
Cu1xii—Se2—Pb2xii | 58.71 (10) | Pb2—Br3—Cu4 | 75.03 (16) |
Cu1ix—Se2—Pb2xii | 107.77 (15) | Br7xii—Br3—Cu4 | 126.11 (14) |
Br3—Se2—Pb2xii | 61.03 (9) | Br7—Br3—Cu4 | 126.11 (14) |
Pb2—Se2—Pb2xii | 118.91 (16) | Br4—Br3—Br6iv | 86.6 (6) |
O5iii—Se2—Br2xii | 70.6 (8) | Pb4—Br3—Br6iv | 49.3 (3) |
O5—Se2—Br2xii | 172.5 (9) | Se2—Br3—Br6iv | 156.1 (5) |
O3—Se2—Br2xii | 80.0 (6) | Pb2xii—Br3—Br6iv | 96.3 (5) |
Cu2—Se2—Br2xii | 95.8 (2) | Pb2—Br3—Br6iv | 140.7 (5) |
Cu1xii—Se2—Br2xii | 90.72 (10) | Br7xii—Br3—Br6iv | 59.3 (5) |
Cu1ix—Se2—Br2xii | 145.95 (18) | Br7—Br3—Br6iv | 95.9 (5) |
Br3—Se2—Br2xii | 100.3 (3) | Cu4—Br3—Br6iv | 110.6 (3) |
Pb2—Se2—Br2xii | 153.7 (2) | Br4—Br3—Br6xi | 86.6 (6) |
Pb2xii—Se2—Br2xii | 55.15 (16) | Pb4—Br3—Br6xi | 49.3 (3) |
O5iii—Se2—Br2 | 172.5 (9) | Se2—Br3—Br6xi | 156.1 (5) |
O5—Se2—Br2 | 70.6 (8) | Pb2xii—Br3—Br6xi | 140.7 (5) |
O3—Se2—Br2 | 80.0 (6) | Pb2—Br3—Br6xi | 96.3 (5) |
Cu2—Se2—Br2 | 95.8 (2) | Br7xii—Br3—Br6xi | 95.9 (5) |
Cu1xii—Se2—Br2 | 145.95 (18) | Br7—Br3—Br6xi | 59.3 (5) |
Cu1ix—Se2—Br2 | 90.72 (10) | Cu4—Br3—Br6xi | 110.6 (3) |
Br3—Se2—Br2 | 100.3 (3) | Br6iv—Br3—Br6xi | 44.5 (9) |
Pb2—Se2—Br2 | 55.15 (16) | Br4—Br3—Se1 | 54.9 (3) |
Pb2xii—Se2—Br2 | 153.7 (2) | Pb4—Br3—Se1 | 98.7 (2) |
Br2xii—Se2—Br2 | 116.88 (17) | Se2—Br3—Se1 | 115.35 (19) |
O5iii—Se2—Pb3Axiii | 98.8 (9) | Pb2xii—Br3—Se1 | 141.4 (3) |
O5—Se2—Pb3Axiii | 134.6 (9) | Pb2—Br3—Se1 | 57.10 (9) |
O3—Se2—Pb3Axiii | 34.4 (9) | Br7xii—Br3—Se1 | 147.0 (4) |
Cu2—Se2—Pb3Axiii | 60.73 (16) | Br7—Br3—Se1 | 67.40 (13) |
Cu1xii—Se2—Pb3Axiii | 99.16 (14) | Cu4—Br3—Se1 | 67.58 (15) |
Cu1ix—Se2—Pb3Axiii | 119.89 (17) | Br6iv—Br3—Se1 | 88.1 (5) |
Br3—Se2—Pb3Axiii | 146.15 (19) | Br6xi—Br3—Se1 | 52.7 (3) |
Pb2—Se2—Pb3Axiii | 140.67 (15) | Br4—Br3—Se1xii | 54.9 (3) |
Pb2xii—Se2—Pb3Axiii | 99.41 (12) | Pb4—Br3—Se1xii | 98.7 (2) |
Br2xii—Se2—Pb3Axiii | 48.6 (2) | Se2—Br3—Se1xii | 115.35 (19) |
Br2—Se2—Pb3Axiii | 86.7 (2) | Pb2xii—Br3—Se1xii | 57.10 (9) |
O2vii—Cu1—O6vii | 86.0 (12) | Pb2—Br3—Se1xii | 141.4 (3) |
O2vii—Cu1—O1 | 178.4 (12) | Br7xii—Br3—Se1xii | 67.40 (13) |
O6vii—Cu1—O1 | 95.5 (12) | Br7—Br3—Se1xii | 147.0 (4) |
O2vii—Cu1—O5ix | 94.4 (12) | Cu4—Br3—Se1xii | 67.58 (15) |
O6vii—Cu1—O5ix | 177.4 (11) | Br6iv—Br3—Se1xii | 52.7 (3) |
O1—Cu1—O5ix | 84.0 (12) | Br6xi—Br3—Se1xii | 88.1 (5) |
O2vii—Cu1—Cu1xiv | 34.9 (7) | Se1—Br3—Se1xii | 98.4 (2) |
O6vii—Cu1—Cu1xiv | 96.4 (9) | Cu4—Br4—Br3 | 125.7 (11) |
O1—Cu1—Cu1xiv | 144.2 (8) | Cu4—Br4—O6iii | 102.6 (8) |
O5ix—Cu1—Cu1xiv | 82.6 (8) | Br3—Br4—O6iii | 115.6 (9) |
O2vii—Cu1—Cu1ix | 145.1 (7) | Cu4—Br4—O6 | 102.6 (8) |
O6vii—Cu1—Cu1ix | 83.6 (9) | Br3—Br4—O6 | 115.6 (9) |
O1—Cu1—Cu1ix | 35.8 (8) | O6iii—Br4—O6 | 87.4 (14) |
O5ix—Cu1—Cu1ix | 97.4 (8) | Cu4—Br4—Cu1viii | 69.9 (5) |
Cu1xiv—Cu1—Cu1ix | 180.0 | Br3—Br4—Cu1viii | 149.1 (4) |
O2vii—Cu1—Br1 | 87.2 (8) | O6iii—Br4—Cu1viii | 35.7 (7) |
O6vii—Cu1—Br1 | 93.4 (9) | O6—Br4—Cu1viii | 81.0 (9) |
O1—Cu1—Br1 | 93.1 (8) | Cu4—Br4—Cu1vii | 69.9 (5) |
O5ix—Cu1—Br1 | 89.1 (8) | Br3—Br4—Cu1vii | 149.1 (4) |
Cu1xiv—Cu1—Br1 | 119.69 (9) | O6iii—Br4—Cu1vii | 81.0 (9) |
Cu1ix—Cu1—Br1 | 60.31 (9) | O6—Br4—Cu1vii | 35.7 (7) |
O2vii—Cu1—Se1vii | 111.8 (9) | Cu1viii—Br4—Cu1vii | 56.7 (4) |
O6vii—Cu1—Se1vii | 25.8 (8) | Cu4—Br4—Se1 | 107.2 (4) |
O1—Cu1—Se1vii | 69.8 (9) | Br3—Br4—Se1 | 91.1 (4) |
O5ix—Cu1—Se1vii | 153.8 (8) | O6iii—Br4—Se1 | 114.3 (9) |
Cu1xiv—Cu1—Se1vii | 118.97 (9) | O6—Br4—Se1 | 29.9 (6) |
Cu1ix—Cu1—Se1vii | 61.03 (9) | Cu1viii—Br4—Se1 | 110.4 (6) |
Br1—Cu1—Se1vii | 91.9 (2) | Cu1vii—Br4—Se1 | 58.0 (3) |
O2vii—Cu1—Cu2x | 32.8 (9) | Cu4—Br4—Se1xii | 107.2 (4) |
O6vii—Cu1—Cu2x | 102.7 (7) | Br3—Br4—Se1xii | 91.1 (4) |
O1—Cu1—Cu2x | 146.7 (9) | O6iii—Br4—Se1xii | 29.9 (6) |
O5ix—Cu1—Cu2x | 78.9 (8) | O6—Br4—Se1xii | 114.3 (9) |
Cu1xiv—Cu1—Cu2x | 61.18 (9) | Cu1viii—Br4—Se1xii | 58.0 (3) |
Cu1ix—Cu1—Cu2x | 118.82 (9) | Cu1vii—Br4—Se1xii | 110.4 (6) |
Br1—Cu1—Cu2x | 58.60 (10) | Se1—Br4—Se1xii | 135.5 (7) |
Se1vii—Cu1—Cu2x | 123.37 (19) | Cu4—Br4—Pb1 | 122.6 (8) |
O2vii—Cu1—Cu4x | 93.9 (8) | Br3—Br4—Pb1 | 111.7 (8) |
O6vii—Cu1—Cu4x | 87.1 (9) | O6iii—Br4—Pb1 | 45.7 (7) |
O1—Cu1—Cu4x | 85.8 (8) | O6—Br4—Pb1 | 45.7 (7) |
O5ix—Cu1—Cu4x | 90.4 (8) | Cu1viii—Br4—Pb1 | 60.1 (4) |
Cu1xiv—Cu1—Cu4x | 61.31 (8) | Cu1vii—Br4—Pb1 | 60.1 (4) |
Cu1ix—Cu1—Cu4x | 118.69 (8) | Se1—Br4—Pb1 | 69.0 (4) |
Br1—Cu1—Cu4x | 178.79 (17) | Se1xii—Br4—Pb1 | 69.0 (4) |
Se1vii—Cu1—Cu4x | 88.06 (13) | Cu4—Br4—Cu3 | 55.5 (3) |
Cu2x—Cu1—Cu4x | 122.36 (14) | Br3—Br4—Cu3 | 109.3 (5) |
O2vii—Cu1—Cu3 | 148.8 (9) | O6iii—Br4—Cu3 | 133.9 (9) |
O6vii—Cu1—Cu3 | 80.9 (7) | O6—Br4—Cu3 | 63.5 (5) |
O1—Cu1—Cu3 | 31.5 (8) | Cu1viii—Br4—Cu3 | 101.4 (5) |
O5ix—Cu1—Cu3 | 97.5 (8) | Cu1vii—Br4—Cu3 | 54.2 (2) |
Cu1xiv—Cu1—Cu3 | 118.79 (8) | Se1—Br4—Cu3 | 53.45 (12) |
Cu1ix—Cu1—Cu3 | 61.21 (8) | Se1xii—Br4—Cu3 | 158.5 (6) |
Br1—Cu1—Cu3 | 121.52 (15) | Pb1—Br4—Cu3 | 107.7 (4) |
Se1vii—Cu1—Cu3 | 60.04 (11) | Cu4—Br4—Cu3xii | 55.5 (3) |
Cu2x—Cu1—Cu3 | 176.42 (19) | Br3—Br4—Cu3xii | 109.3 (5) |
Cu4x—Cu1—Cu3 | 57.47 (8) | O6iii—Br4—Cu3xii | 63.5 (5) |
O2vii—Cu1—Se2x | 70.3 (9) | O6—Br4—Cu3xii | 133.9 (9) |
O6vii—Cu1—Se2x | 155.9 (8) | Cu1viii—Br4—Cu3xii | 54.2 (2) |
O1—Cu1—Se2x | 108.1 (9) | Cu1vii—Br4—Cu3xii | 101.4 (5) |
O5ix—Cu1—Se2x | 24.2 (7) | Se1—Br4—Cu3xii | 158.5 (6) |
Cu1xiv—Cu1—Se2x | 61.40 (9) | Se1xii—Br4—Cu3xii | 53.45 (12) |
Cu1ix—Cu1—Se2x | 118.61 (9) | Pb1—Br4—Cu3xii | 107.7 (4) |
Br1—Cu1—Se2x | 90.3 (2) | Cu3—Br4—Cu3xii | 111.1 (5) |
Se1vii—Cu1—Se2x | 177.01 (19) | Cu4—Br4—Pb2xii | 87.9 (5) |
Cu2x—Cu1—Se2x | 59.57 (16) | Br3—Br4—Pb2xii | 59.2 (4) |
Cu4x—Cu1—Se2x | 89.68 (13) | O6iii—Br4—Pb2xii | 86.6 (6) |
Cu3—Cu1—Se2x | 117.03 (15) | O6—Br4—Pb2xii | 168.9 (9) |
O2iv—Cu2—O2xv | 89.9 (18) | Cu1viii—Br4—Pb2xii | 99.36 (16) |
O2iv—Cu2—O3xvi | 173.0 (14) | Cu1vii—Br4—Pb2xii | 151.3 (5) |
O2xv—Cu2—O3xvi | 97.1 (13) | Se1—Br4—Pb2xii | 149.7 (6) |
O2iv—Cu2—O3 | 97.1 (13) | Se1xii—Br4—Pb2xii | 58.00 (17) |
O2xv—Cu2—O3 | 173.0 (14) | Pb1—Br4—Pb2xii | 125.0 (3) |
O3xvi—Cu2—O3 | 76 (2) | Cu3—Br4—Pb2xii | 126.8 (6) |
O2iv—Cu2—Br1xii | 87.6 (2) | Cu3xii—Br4—Pb2xii | 50.08 (16) |
O2xv—Cu2—Br1xii | 87.6 (2) | Br4—Cu4—Br4iv | 180.0 |
O3xvi—Cu2—Br1xii | 92.6 (2) | Br4—Cu4—Cu3xii | 90.0 |
O3—Cu2—Br1xii | 92.6 (2) | Br4iv—Cu4—Cu3xii | 90.0 |
O2iv—Cu2—Br1 | 87.6 (2) | Br4—Cu4—Cu3 | 90.0 |
O2xv—Cu2—Br1 | 87.6 (2) | Br4iv—Cu4—Cu3 | 90.0 |
O3xvi—Cu2—Br1 | 92.6 (2) | Cu3xii—Cu4—Cu3 | 180.0 |
O3—Cu2—Br1 | 92.6 (2) | Br4—Cu4—Cu1ix | 108.3 (5) |
Br1xii—Cu2—Br1 | 173.3 (5) | Br4iv—Cu4—Cu1ix | 71.7 (5) |
O2iv—Cu2—Se2xvi | 160.8 (9) | Cu3xii—Cu4—Cu1ix | 118.69 (8) |
O2xv—Cu2—Se2xvi | 70.9 (9) | Cu3—Cu4—Cu1ix | 61.31 (8) |
O3xvi—Cu2—Se2xvi | 26.1 (10) | Br4—Cu4—Cu1viii | 71.7 (5) |
O3—Cu2—Se2xvi | 102.1 (10) | Br4iv—Cu4—Cu1viii | 108.3 (5) |
Br1xii—Cu2—Se2xvi | 91.46 (11) | Cu3xii—Cu4—Cu1viii | 61.31 (8) |
Br1—Cu2—Se2xvi | 91.46 (11) | Cu3—Cu4—Cu1viii | 118.69 (8) |
O2iv—Cu2—Se2 | 70.9 (9) | Cu1ix—Cu4—Cu1viii | 180.00 (16) |
O2xv—Cu2—Se2 | 160.8 (9) | Br4—Cu4—Cu1xii | 108.3 (5) |
O3xvi—Cu2—Se2 | 102.1 (10) | Br4iv—Cu4—Cu1xii | 71.7 (5) |
O3—Cu2—Se2 | 26.1 (10) | Cu3xii—Cu4—Cu1xii | 61.31 (8) |
Br1xii—Cu2—Se2 | 91.46 (11) | Cu3—Cu4—Cu1xii | 118.69 (8) |
Br1—Cu2—Se2 | 91.46 (11) | Cu1ix—Cu4—Cu1xii | 57.37 (16) |
Se2xvi—Cu2—Se2 | 128.3 (3) | Cu1viii—Cu4—Cu1xii | 122.63 (16) |
O2iv—Cu2—Cu1xii | 32.2 (4) | Br4—Cu4—Cu1vii | 71.7 (5) |
O2xv—Cu2—Cu1xii | 103.1 (8) | Br4iv—Cu4—Cu1vii | 108.3 (5) |
O3xvi—Cu2—Cu1xii | 144.3 (6) | Cu3xii—Cu4—Cu1vii | 118.69 (8) |
O3—Cu2—Cu1xii | 83.0 (9) | Cu3—Cu4—Cu1vii | 61.31 (8) |
Br1xii—Cu2—Cu1xii | 59.54 (14) | Cu1ix—Cu4—Cu1vii | 122.63 (16) |
Br1—Cu2—Cu1xii | 117.11 (19) | Cu1viii—Cu4—Cu1vii | 57.37 (16) |
Se2xvi—Cu2—Cu1xii | 150.91 (8) | Cu1xii—Cu4—Cu1vii | 180.00 (8) |
Se2—Cu2—Cu1xii | 60.57 (11) | Br4—Cu4—Br3iv | 151.8 (6) |
O2iv—Cu2—Cu1xxiii | 103.1 (8) | Br4iv—Cu4—Br3iv | 28.2 (6) |
O2xv—Cu2—Cu1xxiii | 32.2 (4) | Cu3xii—Cu4—Br3iv | 90.0 |
O3xvi—Cu2—Cu1xxiii | 83.0 (9) | Cu3—Cu4—Br3iv | 90.0 |
O3—Cu2—Cu1xxiii | 144.3 (6) | Cu1ix—Cu4—Br3iv | 96.41 (15) |
Br1xii—Cu2—Cu1xxiii | 117.11 (19) | Cu1viii—Cu4—Br3iv | 83.59 (15) |
Br1—Cu2—Cu1xxiii | 59.54 (14) | Cu1xii—Cu4—Br3iv | 96.41 (15) |
Se2xvi—Cu2—Cu1xxiii | 60.57 (11) | Cu1vii—Cu4—Br3iv | 83.59 (15) |
Se2—Cu2—Cu1xxiii | 150.91 (8) | Br4—Cu4—Br3 | 28.2 (6) |
Cu1xii—Cu2—Cu1xxiii | 128.0 (3) | Br4iv—Cu4—Br3 | 151.8 (6) |
O2iv—Cu2—Cu1ix | 32.2 (4) | Cu3xii—Cu4—Br3 | 90.0 |
O2xv—Cu2—Cu1ix | 103.1 (8) | Cu3—Cu4—Br3 | 90.0 |
O3xvi—Cu2—Cu1ix | 144.3 (6) | Cu1ix—Cu4—Br3 | 83.59 (15) |
O3—Cu2—Cu1ix | 83.0 (9) | Cu1viii—Cu4—Br3 | 96.41 (15) |
Br1xii—Cu2—Cu1ix | 117.11 (19) | Cu1xii—Cu4—Br3 | 83.59 (15) |
Br1—Cu2—Cu1ix | 59.54 (14) | Cu1vii—Cu4—Br3 | 96.41 (15) |
Se2xvi—Cu2—Cu1ix | 150.91 (8) | Br3iv—Cu4—Br3 | 180.0 |
Se2—Cu2—Cu1ix | 60.57 (11) | Br3—Pb4—Br3xxvi | 98.0 (5) |
Cu1xii—Cu2—Cu1ix | 57.65 (17) | Br3—Pb4—Br6iv | 85.9 (3) |
Cu1xxiii—Cu2—Cu1ix | 98.7 (2) | Br3xxvi—Pb4—Br6iv | 149.9 (6) |
O2iv—Cu2—Cu1xxiv | 103.1 (8) | Br3—Pb4—Br6xi | 85.9 (3) |
O2xv—Cu2—Cu1xxiv | 32.2 (4) | Br3xxvi—Pb4—Br6xi | 149.9 (6) |
O3xvi—Cu2—Cu1xxiv | 83.0 (9) | Br6iv—Pb4—Br6xi | 59.8 (12) |
O3—Cu2—Cu1xxiv | 144.3 (6) | Br3—Pb4—Br6xviii | 149.9 (6) |
Br1xii—Cu2—Cu1xxiv | 59.54 (14) | Br3xxvi—Pb4—Br6xviii | 85.9 (3) |
Br1—Cu2—Cu1xxiv | 117.11 (19) | Br6iv—Pb4—Br6xviii | 76.8 (8) |
Se2xvi—Cu2—Cu1xxiv | 60.57 (11) | Br6xi—Pb4—Br6xviii | 105.6 (6) |
Se2—Cu2—Cu1xxiv | 150.91 (8) | Br3—Pb4—Br6xix | 149.9 (6) |
Cu1xii—Cu2—Cu1xxiv | 98.7 (2) | Br3xxvi—Pb4—Br6xix | 85.9 (3) |
Cu1xxiii—Cu2—Cu1xxiv | 57.65 (17) | Br6iv—Pb4—Br6xix | 105.6 (6) |
Cu1ix—Cu2—Cu1xxiv | 128.0 (3) | Br6xi—Pb4—Br6xix | 76.8 (8) |
O1vii—Cu3—O1 | 180.0 | Br6xviii—Pb4—Br6xix | 59.8 (12) |
O1vii—Cu3—O4vii | 86.3 (13) | Br3—Pb4—Br7 | 76.7 (2) |
O1—Cu3—O4vii | 93.7 (13) | Br3xxvi—Pb4—Br7 | 76.7 (2) |
O1vii—Cu3—O4 | 93.7 (13) | Br6iv—Pb4—Br7 | 132.8 (6) |
O1—Cu3—O4 | 86.3 (13) | Br6xi—Pb4—Br7 | 75.3 (6) |
O4vii—Cu3—O4 | 180.0 | Br6xviii—Pb4—Br7 | 132.8 (6) |
O1vii—Cu3—Cu4x | 90.0 | Br6xix—Pb4—Br7 | 75.3 (6) |
O1—Cu3—Cu4x | 90.0 | Br3—Pb4—Br7xii | 76.7 (2) |
O4vii—Cu3—Cu4x | 90.0 | Br3xxvi—Pb4—Br7xii | 76.7 (2) |
O4—Cu3—Cu4x | 90.0 | Br6iv—Pb4—Br7xii | 75.3 (6) |
O1vii—Cu3—Cu4 | 90.0 | Br6xi—Pb4—Br7xii | 132.8 (6) |
O1—Cu3—Cu4 | 90.0 | Br6xviii—Pb4—Br7xii | 75.3 (6) |
O4vii—Cu3—Cu4 | 90.0 | Br6xix—Pb4—Br7xii | 132.8 (6) |
O4—Cu3—Cu4 | 90.0 | Br7—Pb4—Br7xii | 138.9 (7) |
Cu4x—Cu3—Cu4 | 180.0 | Br3—Pb4—Pb4xx | 131.0 (3) |
O1vii—Cu3—Se1 | 69.8 (9) | Br3xxvi—Pb4—Pb4xx | 131.0 (3) |
O1—Cu3—Se1 | 110.2 (9) | Br6iv—Pb4—Pb4xx | 52.8 (3) |
O4vii—Cu3—Se1 | 156.1 (10) | Br6xi—Pb4—Pb4xx | 52.8 (3) |
O4—Cu3—Se1 | 23.9 (10) | Br6xviii—Pb4—Pb4xx | 52.8 (3) |
Cu4x—Cu3—Se1 | 90.0 | Br6xix—Pb4—Pb4xx | 52.8 (3) |
Cu4—Cu3—Se1 | 90.0 | Br7—Pb4—Pb4xx | 110.6 (3) |
O1vii—Cu3—Se1vii | 110.2 (9) | Br7xii—Pb4—Pb4xx | 110.6 (3) |
O1—Cu3—Se1vii | 69.8 (9) | Br6iii—Br6—Pb4iv | 60.1 (6) |
O4vii—Cu3—Se1vii | 23.9 (10) | Br6iii—Br6—Pb4xxii | 60.1 (6) |
O4—Cu3—Se1vii | 156.1 (10) | Pb4iv—Br6—Pb4xxii | 74.4 (6) |
Cu4x—Cu3—Se1vii | 90.0 | Br6iii—Br6—Br6ix | 180.0 |
Cu4—Cu3—Se1vii | 90.0 | Pb4iv—Br6—Br6ix | 119.9 (6) |
Se1—Cu3—Se1vii | 180.0 | Pb4xxii—Br6—Br6ix | 119.9 (6) |
O1vii—Cu3—Cu1 | 147.9 (4) | Br6iii—Br6—Se1xv | 115.9 (5) |
O1—Cu3—Cu1 | 32.1 (4) | Pb4iv—Br6—Se1xv | 175.4 (11) |
O4vii—Cu3—Cu1 | 80.1 (8) | Pb4xxii—Br6—Se1xv | 105.79 (18) |
O4—Cu3—Cu1 | 99.9 (8) | Br6ix—Br6—Se1xv | 64.1 (5) |
Cu4x—Cu3—Cu1 | 61.21 (8) | Br6iii—Br6—Se1vii | 115.9 (5) |
Cu4—Cu3—Cu1 | 118.79 (8) | Pb4iv—Br6—Se1vii | 105.79 (18) |
Se1—Cu3—Cu1 | 120.31 (11) | Pb4xxii—Br6—Se1vii | 175.4 (11) |
Se1vii—Cu3—Cu1 | 59.69 (11) | Br6ix—Br6—Se1vii | 64.1 (5) |
O1vii—Cu3—Cu1vii | 32.1 (4) | Se1xv—Br6—Se1vii | 73.6 (4) |
O1—Cu3—Cu1vii | 147.9 (4) | Br6iii—Br6—Pb1iv | 65.7 (5) |
O4vii—Cu3—Cu1vii | 99.9 (8) | Pb4iv—Br6—Pb1iv | 111.2 (8) |
O4—Cu3—Cu1vii | 80.1 (8) | Pb4xxii—Br6—Pb1iv | 111.2 (8) |
Cu4x—Cu3—Cu1vii | 118.79 (8) | Br6ix—Br6—Pb1iv | 114.3 (5) |
Cu4—Cu3—Cu1vii | 61.21 (8) | Se1xv—Br6—Pb1iv | 64.4 (2) |
Se1—Cu3—Cu1vii | 59.69 (11) | Se1vii—Br6—Pb1iv | 64.4 (2) |
Se1vii—Cu3—Cu1vii | 120.31 (11) | Br6iii—Br6—Br6xxi | 89.999 (1) |
Cu1—Cu3—Cu1vii | 180.0 | Pb4iv—Br6—Br6xxi | 51.6 (4) |
O1vii—Cu3—Cu1ix | 147.9 (4) | Pb4xxii—Br6—Br6xxi | 51.6 (4) |
O1—Cu3—Cu1ix | 32.1 (4) | Br6ix—Br6—Br6xxi | 90.0 |
O4vii—Cu3—Cu1ix | 80.1 (8) | Se1xv—Br6—Br6xxi | 132.2 (3) |
O4—Cu3—Cu1ix | 99.9 (8) | Se1vii—Br6—Br6xxi | 132.2 (3) |
Cu4x—Cu3—Cu1ix | 118.79 (8) | Pb1iv—Br6—Br6xxi | 155.7 (5) |
Cu4—Cu3—Cu1ix | 61.21 (8) | Br6iii—Br6—Br7vii | 113.8 (5) |
Se1—Cu3—Cu1ix | 120.31 (11) | Pb4iv—Br6—Br7vii | 55.2 (2) |
Se1vii—Cu3—Cu1ix | 59.69 (11) | Pb4xxii—Br6—Br7vii | 111.4 (4) |
Cu1—Cu3—Cu1ix | 57.58 (16) | Br6ix—Br6—Br7vii | 66.2 (5) |
Cu1vii—Cu3—Cu1ix | 122.42 (16) | Se1xv—Br6—Br7vii | 128.0 (9) |
O1vii—Cu3—Cu1xi | 32.1 (4) | Se1vii—Br6—Br7vii | 71.8 (3) |
O1—Cu3—Cu1xi | 147.9 (4) | Pb1iv—Br6—Br7vii | 127.7 (2) |
O4vii—Cu3—Cu1xi | 99.9 (8) | Br6xxi—Br6—Br7vii | 60.8 (2) |
O4—Cu3—Cu1xi | 80.1 (8) | Br6iii—Br6—Br7xxii | 113.8 (5) |
Cu4x—Cu3—Cu1xi | 61.21 (8) | Pb4iv—Br6—Br7xxii | 111.4 (4) |
Cu4—Cu3—Cu1xi | 118.79 (8) | Pb4xxii—Br6—Br7xxii | 55.2 (2) |
Se1—Cu3—Cu1xi | 59.69 (11) | Br6ix—Br6—Br7xxii | 66.2 (5) |
Se1vii—Cu3—Cu1xi | 120.31 (11) | Se1xv—Br6—Br7xxii | 71.8 (3) |
Cu1—Cu3—Cu1xi | 122.42 (16) | Se1vii—Br6—Br7xxii | 128.0 (9) |
Cu1vii—Cu3—Cu1xi | 57.58 (16) | Pb1iv—Br6—Br7xxii | 127.7 (2) |
Cu1ix—Cu3—Cu1xi | 180.00 (8) | Br6xxi—Br6—Br7xxii | 60.8 (2) |
Cu3—O1—Cu1 | 116.4 (10) | Br7vii—Br6—Br7xxii | 101.4 (7) |
Cu3—O1—Cu1ix | 116.4 (10) | Br6iii—Br6—Br3iv | 67.7 (5) |
Cu1—O1—Cu1ix | 108.4 (15) | Pb4iv—Br6—Br3iv | 44.8 (3) |
Cu3—O1—Pb2 | 105.2 (14) | Pb4xxii—Br6—Br3iv | 114.0 (8) |
Cu1—O1—Pb2 | 104.5 (10) | Br6ix—Br6—Br3iv | 112.3 (5) |
Cu1ix—O1—Pb2 | 104.5 (10) | Se1xv—Br6—Br3iv | 132.7 (4) |
Cu1vii—O2—Cu1viii | 110.1 (15) | Se1vii—Br6—Br3iv | 64.61 (16) |
Cu1vii—O2—Cu2iv | 115.0 (10) | Pb1iv—Br6—Br3iv | 77.8 (4) |
Cu1viii—O2—Cu2iv | 115.0 (10) | Br6xxi—Br6—Br3iv | 93.5 (3) |
Cu1vii—O2—Pb1 | 108.3 (10) | Br7vii—Br6—Br3iv | 57.87 (19) |
Cu1viii—O2—Pb1 | 108.3 (10) | Br7xxii—Br6—Br3iv | 153.8 (5) |
Cu2iv—O2—Pb1 | 99.1 (12) | Br6iii—Br6—Br3xv | 67.7 (5) |
Se2—O3—Cu2 | 123.5 (19) | Pb4iv—Br6—Br3xv | 114.0 (8) |
Se2—O3—Pb3Axiii | 122.7 (14) | Pb4xxii—Br6—Br3xv | 44.8 (3) |
Cu2—O3—Pb3Axiii | 104.4 (13) | Br6ix—Br6—Br3xv | 112.3 (5) |
Se2—O3—Pb3A | 122.7 (14) | Se1xv—Br6—Br3xv | 64.61 (16) |
Cu2—O3—Pb3A | 104.4 (13) | Se1vii—Br6—Br3xv | 132.7 (4) |
Pb3Axiii—O3—Pb3A | 63.7 (9) | Pb1iv—Br6—Br3xv | 77.8 (4) |
Se1—O4—Cu3 | 128.5 (19) | Br6xxi—Br6—Br3xv | 93.5 (3) |
Se1—O4—Pb2 | 129.5 (18) | Br7vii—Br6—Br3xv | 153.8 (5) |
Cu3—O4—Pb2 | 101.9 (14) | Br7xxii—Br6—Br3xv | 57.87 (19) |
Se2—O5—Cu1ix | 127.6 (14) | Br3iv—Br6—Br3xv | 134.9 (9) |
Se2—O5—Pb2 | 127.9 (13) | Pb4x—Br7—Pb4 | 138.9 (7) |
Cu1ix—O5—Pb2 | 104.2 (11) | Pb4x—Br7—Pb2 | 103.83 (17) |
Se1—O6—Cu1vii | 125.1 (14) | Pb4—Br7—Pb2 | 103.83 (17) |
Se1—O6—Pb1 | 133.0 (13) | Pb4x—Br7—Pb2xxvi | 103.83 (17) |
Cu1vii—O6—Pb1 | 99.6 (11) | Pb4—Br7—Pb2xxvi | 103.83 (17) |
Se1—O6—Br4 | 102.0 (13) | Pb2—Br7—Pb2xxvi | 94.2 (4) |
Cu1vii—O6—Br4 | 92.9 (12) | Pb4x—Br7—Br3 | 145.2 (2) |
Pb1—O6—Br4 | 88.2 (10) | Pb4—Br7—Br3 | 46.22 (16) |
Pb3B—Br1—Cu2 | 86.6 (3) | Pb2—Br7—Br3 | 57.64 (17) |
Pb3B—Br1—Cu2x | 86.6 (3) | Pb2xxvi—Br7—Br3 | 106.6 (3) |
Cu2—Br1—Cu2x | 173.3 (5) | Pb4x—Br7—Br3xxvii | 46.22 (16) |
Pb3B—Br1—Cu1ix | 113.0 (2) | Pb4—Br7—Br3xxvii | 145.2 (2) |
Cu2—Br1—Cu1ix | 61.86 (12) | Pb2—Br7—Br3xxvii | 106.6 (3) |
Cu2x—Br1—Cu1ix | 121.15 (16) | Pb2xxvi—Br7—Br3xxvii | 57.64 (17) |
Pb3B—Br1—Cu1xxv | 113.0 (2) | Br3—Br7—Br3xxvii | 158.8 (6) |
Cu2—Br1—Cu1xxv | 121.15 (16) | Pb4x—Br7—Br3x | 46.22 (16) |
Cu2x—Br1—Cu1xxv | 61.86 (12) | Pb4—Br7—Br3x | 145.2 (2) |
Cu1ix—Br1—Cu1xxv | 134.0 (4) | Pb2—Br7—Br3x | 57.64 (17) |
Pb3B—Br1—Cu1xxiii | 113.0 (2) | Pb2xxvi—Br7—Br3x | 106.6 (3) |
Cu2—Br1—Cu1xxiii | 61.86 (12) | Br3—Br7—Br3x | 107.8 (3) |
Cu2x—Br1—Cu1xxiii | 121.15 (16) | Br3xxvii—Br7—Br3x | 68.1 (3) |
Cu1ix—Br1—Cu1xxiii | 101.8 (3) | Pb4x—Br7—Br3xxvi | 145.2 (2) |
Cu1xxv—Br1—Cu1xxiii | 59.38 (19) | Pb4—Br7—Br3xxvi | 46.22 (16) |
Pb3B—Br1—Cu1 | 113.0 (2) | Pb2—Br7—Br3xxvi | 106.6 (3) |
Cu2—Br1—Cu1 | 121.15 (16) | Pb2xxvi—Br7—Br3xxvi | 57.64 (17) |
Cu2x—Br1—Cu1 | 61.86 (12) | Br3—Br7—Br3xxvi | 68.1 (3) |
Cu1ix—Br1—Cu1 | 59.38 (19) | Br3xxvii—Br7—Br3xxvi | 107.8 (3) |
Cu1xxv—Br1—Cu1 | 101.8 (3) | Br3x—Br7—Br3xxvi | 158.8 (6) |
Cu1xxiii—Br1—Cu1 | 134.0 (4) | Pb4x—Br7—Br6xi | 96.1 (6) |
Pb3B—Br1—Pb3A | 27.85 (13) | Pb4—Br7—Br6xi | 49.5 (5) |
Cu2—Br1—Pb3A | 58.8 (2) | Pb2—Br7—Br6xi | 99.7 (2) |
Cu2x—Br1—Pb3A | 114.5 (3) | Pb2xxvi—Br7—Br6xi | 152.2 (4) |
Cu1ix—Br1—Pb3A | 96.53 (16) | Br3—Br7—Br6xi | 62.8 (4) |
Cu1xxv—Br1—Pb3A | 125.2 (2) | Br3xxvii—Br7—Br6xi | 137.9 (6) |
Cu1xxiii—Br1—Pb3A | 96.53 (16) | Br3x—Br7—Br6xi | 101.2 (4) |
Cu1—Br1—Pb3A | 125.2 (2) | Br3xxvi—Br7—Br6xi | 95.1 (5) |
Pb3B—Br1—Pb3Axvii | 27.85 (13) | Pb4x—Br7—Br6vii | 49.5 (5) |
Cu2—Br1—Pb3Axvii | 114.5 (3) | Pb4—Br7—Br6vii | 96.1 (6) |
Cu2x—Br1—Pb3Axvii | 58.8 (2) | Pb2—Br7—Br6vii | 99.7 (2) |
Cu1ix—Br1—Pb3Axvii | 125.2 (2) | Pb2xxvi—Br7—Br6vii | 152.2 (4) |
Cu1xxv—Br1—Pb3Axvii | 96.53 (16) | Br3—Br7—Br6vii | 101.2 (4) |
Cu1xxiii—Br1—Pb3Axvii | 125.2 (2) | Br3xxvii—Br7—Br6vii | 95.1 (5) |
Cu1—Br1—Pb3Axvii | 96.53 (16) | Br3x—Br7—Br6vii | 62.8 (4) |
Pb3A—Br1—Pb3Axvii | 55.7 (3) | Br3xxvi—Br7—Br6vii | 137.9 (6) |
Pb3B—Br1—Br2 | 35.00 (19) | Br6xi—Br7—Br6vii | 47.6 (9) |
Cu2—Br1—Br2 | 87.3 (2) | Pb4x—Br7—Br6xix | 96.1 (6) |
Cu2x—Br1—Br2 | 87.3 (2) | Pb4—Br7—Br6xix | 49.5 (5) |
Cu1ix—Br1—Br2 | 82.80 (19) | Pb2—Br7—Br6xix | 152.2 (4) |
Cu1xxv—Br1—Br2 | 139.9 (3) | Pb2xxvi—Br7—Br6xix | 99.7 (2) |
Cu1xxiii—Br1—Br2 | 139.9 (3) | Br3—Br7—Br6xix | 95.1 (5) |
Cu1—Br1—Br2 | 82.80 (19) | Br3xxvii—Br7—Br6xix | 101.2 (4) |
Pb3A—Br1—Br2 | 43.59 (17) | Br3x—Br7—Br6xix | 137.9 (6) |
Pb3Axvii—Br1—Br2 | 43.59 (17) | Br3xxvi—Br7—Br6xix | 62.8 (4) |
Pb3B—Br1—Br2xvii | 35.00 (19) | Br6xi—Br7—Br6xix | 58.5 (5) |
Cu2—Br1—Br2xvii | 87.3 (2) | Br6vii—Br7—Br6xix | 78.6 (7) |
Cu2x—Br1—Br2xvii | 87.3 (2) | Pb4x—Br7—Br6xxviii | 49.5 (5) |
Cu1ix—Br1—Br2xvii | 139.9 (3) | Pb4—Br7—Br6xxviii | 96.1 (6) |
Cu1xxv—Br1—Br2xvii | 82.80 (19) | Pb2—Br7—Br6xxviii | 152.2 (4) |
Cu1xxiii—Br1—Br2xvii | 82.80 (19) | Pb2xxvi—Br7—Br6xxviii | 99.7 (2) |
Cu1—Br1—Br2xvii | 139.9 (3) | Br3—Br7—Br6xxviii | 137.9 (6) |
Pb3A—Br1—Br2xvii | 43.59 (17) | Br3xxvii—Br7—Br6xxviii | 62.8 (4) |
Pb3Axvii—Br1—Br2xvii | 43.59 (17) | Br3x—Br7—Br6xxviii | 95.1 (5) |
Br2—Br1—Br2xvii | 70.0 (4) | Br3xxvi—Br7—Br6xxviii | 101.2 (4) |
Pb3B—Br1—Pb1iv | 134.50 (11) | Br6xi—Br7—Br6xxviii | 78.6 (7) |
Cu2—Br1—Pb1iv | 47.85 (19) | Br6vii—Br7—Br6xxviii | 58.5 (5) |
Cu2x—Br1—Pb1iv | 138.9 (4) | Br6xix—Br7—Br6xxviii | 47.6 (9) |
Cu1ix—Br1—Pb1iv | 51.18 (13) | ||
O5iii—Se2—O3—Cu2 | −52.4 (9) | O5iii—Se2—O5—Cu1ix | 46 (2) |
O5—Se2—O3—Cu2 | 52.4 (9) | O3—Se2—O5—Cu1ix | −58 (2) |
Cu1xii—Se2—O3—Cu2 | −28.68 (9) | Cu2—Se2—O5—Cu1ix | −34.4 (15) |
Cu1ix—Se2—O3—Cu2 | 28.68 (9) | Cu1xii—Se2—O5—Cu1ix | 26.1 (15) |
Pb2—Se2—O3—Cu2 | 79.5 (7) | Br3—Se2—O5—Cu1ix | 121.2 (17) |
Pb2xii—Se2—O3—Cu2 | −79.5 (7) | Pb2—Se2—O5—Cu1ix | 173 (3) |
Br2xii—Se2—O3—Cu2 | −120.10 (18) | Pb2xii—Se2—O5—Cu1ix | 73.9 (18) |
Br2—Se2—O3—Cu2 | 120.10 (18) | Br2—Se2—O5—Cu1ix | −133.3 (19) |
Pb3Axiii—Se2—O3—Cu2 | −141.2 (11) | Pb3Axiii—Se2—O5—Cu1ix | −69 (2) |
O5iii—Se2—O3—Pb3Axiii | 88.8 (15) | O5iii—Se2—O5—Pb2 | −127.0 (11) |
O5—Se2—O3—Pb3Axiii | −166.4 (12) | O3—Se2—O5—Pb2 | 128.5 (17) |
Cu2—Se2—O3—Pb3Axiii | 141.2 (11) | Cu2—Se2—O5—Pb2 | 152.4 (16) |
Cu1xii—Se2—O3—Pb3Axiii | 112.5 (10) | Cu1xii—Se2—O5—Pb2 | −147.1 (16) |
Cu1ix—Se2—O3—Pb3Axiii | 169.8 (11) | Cu1ix—Se2—O5—Pb2 | −173 (3) |
Pb2—Se2—O3—Pb3Axiii | −139.4 (5) | Br3—Se2—O5—Pb2 | −52.0 (14) |
Pb2xii—Se2—O3—Pb3Axiii | 61.7 (17) | Pb2xii—Se2—O5—Pb2 | −99.4 (15) |
Br2xii—Se2—O3—Pb3Axiii | 21.1 (9) | Br2—Se2—O5—Pb2 | 53.5 (13) |
Br2—Se2—O3—Pb3Axiii | −98.7 (12) | Pb3Axiii—Se2—O5—Pb2 | 117.8 (13) |
O5iii—Se2—O3—Pb3A | 166.4 (12) | O4—Se1—O6—Cu1vii | 56 (2) |
O5—Se2—O3—Pb3A | −88.8 (15) | O6ix—Se1—O6—Cu1vii | −48 (3) |
Cu2—Se2—O3—Pb3A | −141.2 (11) | Cu1xi—Se1—O6—Cu1vii | −26.8 (17) |
Cu1xii—Se2—O3—Pb3A | −169.8 (11) | Cu3—Se1—O6—Cu1vii | 33.9 (17) |
Cu1ix—Se2—O3—Pb3A | −112.5 (10) | Br4x—Se1—O6—Cu1vii | −12 (3) |
Pb2—Se2—O3—Pb3A | −61.7 (17) | Br4—Se1—O6—Cu1vii | 102 (2) |
Pb2xii—Se2—O3—Pb3A | 139.4 (5) | Br6vii—Se1—O6—Cu1vii | −143.7 (13) |
Br2xii—Se2—O3—Pb3A | 98.7 (12) | Br6xi—Se1—O6—Cu1vii | −176.4 (19) |
Br2—Se2—O3—Pb3A | −21.1 (9) | Pb2—Se1—O6—Cu1vii | 82 (2) |
Pb3Axiii—Se2—O3—Pb3A | 78 (2) | Pb1—Se1—O6—Cu1vii | −159 (4) |
O6ix—Se1—O4—Cu3 | 53.0 (10) | O4—Se1—O6—Pb1 | −145 (2) |
O6—Se1—O4—Cu3 | −53.0 (10) | O6ix—Se1—O6—Pb1 | 110.7 (18) |
Cu1vii—Se1—O4—Cu3 | −29.15 (11) | Cu1vii—Se1—O6—Pb1 | 159 (4) |
Cu1xi—Se1—O4—Cu3 | 29.15 (11) | Cu1xi—Se1—O6—Pb1 | 132 (2) |
Br4x—Se1—O4—Cu3 | 88.7 (6) | Cu3—Se1—O6—Pb1 | −167 (2) |
Br4—Se1—O4—Cu3 | −88.7 (6) | Br4x—Se1—O6—Pb1 | 147.0 (12) |
Br6vii—Se1—O4—Cu3 | 146.4 (8) | Br4—Se1—O6—Pb1 | −99 (2) |
Br6xi—Se1—O4—Cu3 | −146.4 (8) | Br6vii—Se1—O6—Pb1 | 15 (3) |
Pb2—Se1—O4—Cu3 | 180.0 | Br6xi—Se1—O6—Pb1 | −17.5 (19) |
Pb1—Se1—O4—Cu3 | −71.8 (8) | Pb2—Se1—O6—Pb1 | −118.7 (17) |
O6ix—Se1—O4—Pb2 | −127.0 (10) | O4—Se1—O6—Br4 | −46.5 (14) |
O6—Se1—O4—Pb2 | 127.0 (10) | O6ix—Se1—O6—Br4 | −150.4 (8) |
Cu1vii—Se1—O4—Pb2 | 150.85 (11) | Cu1vii—Se1—O6—Br4 | −102 (2) |
Cu1xi—Se1—O4—Pb2 | −150.85 (11) | Cu1xi—Se1—O6—Br4 | −129.0 (9) |
Cu3—Se1—O4—Pb2 | 180.0 | Cu3—Se1—O6—Br4 | −68.4 (8) |
Br4x—Se1—O4—Pb2 | −91.3 (6) | Br4x—Se1—O6—Br4 | −114.2 (16) |
Br4—Se1—O4—Pb2 | 91.3 (6) | Br6vii—Se1—O6—Br4 | 114.0 (11) |
Br6vii—Se1—O4—Pb2 | −33.6 (8) | Br6xi—Se1—O6—Br4 | 81.4 (9) |
Br6xi—Se1—O4—Pb2 | 33.6 (8) | Pb2—Se1—O6—Br4 | −19.8 (13) |
Pb1—Se1—O4—Pb2 | 108.2 (8) | Pb1—Se1—O6—Br4 | 99 (2) |
Symmetry codes: (i) x, −y+1, −z+1; (ii) x, −y+1, z; (iii) x, y, −z+1; (iv) −x+1/2, −y+1/2, −z+1; (v) −x+1/2, y+1/2, z+1; (vi) −x+1/2, y+1/2, −z; (vii) −x+1/2, −y+1/2, −z; (viii) −x+1/2, −y+1/2, z+1; (ix) x, y, −z; (x) x, y, z−1; (xi) −x+1/2, −y+1/2, z; (xii) x, y, z+1; (xiii) −x, −y, −z+1; (xiv) x, y, −z−1; (xv) −x+1/2, y−1/2, z; (xvi) x, −y, −z+1; (xvii) −x, −y, −z; (xviii) x−1/2, y+1/2, −z+1; (xix) x−1/2, y+1/2, z; (xx) −x, −y+1, −z+1; (xxi) −x+1, −y, z; (xxii) x+1/2, y−1/2, z; (xxiii) x, −y, −z; (xxiv) x, −y, z+1; (xxv) x, −y, z; (xxvi) −x, y, z; (xxvii) −x, y, z−1; (xxviii) x−1/2, y+1/2, −z. |