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Extensive experiments in the Pb–Cu–Se–O–Br system at 400°C yielded single crystals of nine new compounds (Cu2+Pb6(SeO3)4Br6, Cu2+Pb2(SeO3)2Br2, Cu2+3Pb2.4(SeO3)5Br0.8, Cu2+2Pb(SeO3)2Br2, Cu2+4Pb(SeO3)4Br2, [Cu2+9Pb2O4](Cu+Br2)(SeO3)4Br5, [Cu2+7PbO3](Cu+Br)0.35(SeO3)3Br4, [Cu2+8Pb2O4](Cu+Br)1.5(SeO3)4Br4, [Cu2+6Pb3O4](Cu+Pb1.27Br3.54)(SeO3)4Br2), all but one exhibiting new complex layered or open-framework architectures, organized via the host–guest principle. Five of these structures contain only bivalent copper: three with well ordered 2D structures and completely filled atomic positions, two structures have 3D frameworks. The four remaining compounds contain both, Cu2+ and Cu+, and comprise layers formed by edge- and vertex-sharing of oxocentered OCu2+4–nPbn tetrahedra decorated with SeO32− and Br anions. The interlayer spaces are filled by partially disordered Cu+–Br and Pb–Br associations. One remarkable feature of the latter group of compounds is the presence of tetrahedral (Cu2+)4 complexes with arrangements derivable from a kagome network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520618016542/ps5074sup1.cif
Contains datablocks CuPb12, CuPb16, CuPb21, CuPb41, CuPb324, CuPbOXO1, CuPbOXO2, CuPbOXO3, CuPbOXO4

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb12sup2.hkl
Contains datablock CuPb12

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb16sup3.hkl
Contains datablock CuPb16

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb21sup4.hkl
Contains datablock CuPb21

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb41sup5.hkl
Contains datablock CuPb41

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPb324sup6.hkl
Contains datablock CuPb324

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPbOXO1sup7.hkl
Contains datablock CuPbOXO1

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPbOXO2sup8.hkl
Contains datablock CuPbOXO2

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPbOXO3sup9.hkl
Contains datablock CuPbOXO3

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520618016542/ps5074CuPbOXO4sup10.hkl
Contains datablock CuPbOXO4

CCDC references: 1880047; 1880048; 1880049; 1880050; 1880051; 1880052; 1880053; 1880054; 1880055

Computing details top

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.

(CuPb12) top
Crystal data top
Br2CuO6Pb2Se2F(000) = 1516
Mr = 891.66Dx = 6.280 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 6.9097 (3) ÅCell parameters from 2391 reflections
b = 5.5036 (2) Åθ = 3.0–41.7°
c = 24.8544 (9) ŵ = 54.03 mm1
β = 93.808 (1)°T = 296 K
V = 943.08 (6) Å3Prism
Z = 4
Data collection top
Bruker Apex 2 Duo
diffractometer
θmax = 41.7°, θmin = 3.0°
21967 measured reflectionsh = 1212
6387 independent reflectionsk = 1010
3650 reflections with I > 2σ(I)l = 4646
Rint = 0.078
Refinement top
Refinement on F20 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) = 0.068Δρmax = 2.53 e Å3
S = 0.92Δρmin = 2.44 e Å3
6387 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
121 parametersExtinction coefficient: 0.00059 (4)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pb10.74121 (3)0.12334 (5)0.10836 (2)0.01580 (5)
Pb20.96012 (3)0.39395 (5)0.22530 (2)0.01641 (6)
Se11.23387 (8)0.12185 (12)0.03922 (2)0.01073 (10)
Se20.49394 (8)0.41552 (12)0.17155 (2)0.01066 (11)
Br11.13948 (9)0.10397 (13)0.19842 (2)0.01800 (12)
Br21.00220 (9)0.38436 (14)0.10003 (2)0.01887 (13)
Cu11.38714 (11)0.33887 (14)0.04478 (3)0.01280 (14)
O11.2305 (6)0.1103 (8)0.00663 (15)0.0136 (8)
O20.6469 (6)0.6344 (9)0.19945 (15)0.0157 (9)
O30.5266 (6)0.4927 (9)0.10631 (15)0.0143 (9)
O41.4167 (6)0.0168 (8)0.07953 (15)0.0133 (8)
O51.3491 (6)0.3472 (8)0.00815 (16)0.0141 (8)
O60.6401 (6)0.1725 (9)0.18503 (16)0.0158 (9)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.01618 (9)0.01758 (13)0.01357 (8)0.00023 (10)0.00039 (7)0.00100 (9)
Pb20.01519 (9)0.01588 (13)0.01808 (9)0.00050 (10)0.00042 (7)0.00345 (10)
Se10.0109 (2)0.0103 (3)0.01113 (19)0.0003 (2)0.00155 (16)0.0013 (2)
Se20.0105 (2)0.0113 (3)0.0102 (2)0.0002 (2)0.00083 (16)0.0002 (2)
Br10.0200 (3)0.0147 (3)0.0191 (3)0.0001 (3)0.0006 (2)0.0004 (3)
Br20.0191 (3)0.0201 (3)0.0179 (2)0.0016 (3)0.00432 (19)0.0004 (3)
Cu10.0181 (3)0.0097 (4)0.0103 (3)0.0007 (3)0.0017 (2)0.0007 (3)
O10.0173 (18)0.013 (2)0.0098 (15)0.0014 (18)0.0009 (13)0.0024 (17)
O20.0170 (18)0.016 (2)0.0143 (17)0.0012 (19)0.0017 (14)0.0042 (18)
O30.021 (2)0.015 (2)0.0074 (15)0.0048 (18)0.0018 (14)0.0007 (16)
O40.020 (2)0.011 (2)0.0089 (16)0.0003 (17)0.0037 (14)0.0001 (15)
O50.0185 (19)0.010 (2)0.0137 (17)0.0017 (17)0.0006 (14)0.0009 (16)
O60.0185 (19)0.013 (2)0.0154 (18)0.0009 (18)0.0016 (15)0.0037 (16)
Geometric parameters (Å, º) top
Pb1—O4i2.433 (4)Se2—O61.696 (5)
Pb1—O1ii2.550 (4)Se2—O31.706 (4)
Pb1—O3iii2.580 (4)Se2—O21.718 (4)
Pb1—O62.636 (5)Se2—Br1v3.4207 (8)
Pb1—O2iii2.743 (4)Se2—Pb1vi3.4904 (7)
Pb1—Br2iii3.2689 (8)Br1—Pb2iii3.1189 (8)
Pb1—Br23.3395 (8)Br1—Pb2viii3.2484 (6)
Pb1—Br13.4318 (6)Br1—Se2iv3.4208 (8)
Pb1—Se2iii3.4904 (7)Br1—Br23.7141 (9)
Pb1—Pb2iii4.1484 (4)Br1—Br2iii3.8080 (10)
Pb1—Pb24.2728 (4)Br1—Br1viii3.9948 (8)
Pb1—Pb2iv4.4499 (3)Br1—Br1vii3.9948 (8)
Pb2—O2iv2.504 (4)Br2—Cu13.0835 (10)
Pb2—O22.581 (4)Br2—Pb1vi3.2689 (8)
Pb2—O62.661 (4)Br2—Se1vi3.5432 (9)
Pb2—O6v2.829 (4)Br2—Br1vi3.8081 (10)
Pb2—Br13.0986 (8)Cu1—O3ix1.946 (4)
Pb2—Br1vi3.1189 (8)Cu1—O5vi1.963 (4)
Pb2—Br23.1466 (6)Cu1—O41.976 (4)
Pb2—Br1vii3.2483 (6)Cu1—O12.050 (4)
Pb2—Se23.4064 (6)Cu1—O5x2.318 (4)
Pb2—Pb1vi4.1484 (4)O1—Pb1ii2.550 (4)
Pb2—Pb2v4.2409 (4)O2—Pb2v2.504 (4)
Pb2—Pb2iv4.2410 (4)O2—Pb1vi2.743 (4)
Se1—O51.688 (4)O3—Cu1i1.946 (4)
Se1—O11.711 (4)O3—Pb1vi2.580 (4)
Se1—O41.736 (4)O4—Pb1ix2.433 (4)
Se1—Cu12.7478 (10)O5—Cu1iii1.963 (4)
Se1—Br2iii3.5432 (9)O5—Cu1x2.318 (4)
Se1—Br23.5959 (9)O6—Pb2iv2.829 (4)
O4i—Pb1—O1ii80.15 (13)O1—Se1—Cu148.14 (13)
O4i—Pb1—O3iii74.73 (15)O4—Se1—Cu145.75 (14)
O1ii—Pb1—O3iii94.89 (13)O5—Se1—Br2iii82.64 (15)
O4i—Pb1—O674.57 (13)O1—Se1—Br2iii150.48 (13)
O1ii—Pb1—O6137.82 (14)O4—Se1—Br2iii115.02 (14)
O3iii—Pb1—O6109.92 (14)Cu1—Se1—Br2iii150.44 (3)
O4i—Pb1—O2iii97.61 (13)O5—Se1—Br2176.46 (15)
O1ii—Pb1—O2iii150.48 (14)O1—Se1—Br273.42 (15)
O3iii—Pb1—O2iii56.67 (12)O4—Se1—Br275.18 (15)
O6—Pb1—O2iii67.33 (14)Cu1—Se1—Br256.27 (2)
O4i—Pb1—Br2iii138.20 (10)Br2iii—Se1—Br2100.87 (2)
O1ii—Pb1—Br2iii83.20 (10)O6—Se2—O3105.6 (2)
O3iii—Pb1—Br2iii68.82 (11)O6—Se2—O297.5 (2)
O6—Pb1—Br2iii137.02 (9)O3—Se2—O295.3 (2)
O2iii—Pb1—Br2iii79.14 (10)O6—Se2—Pb250.19 (15)
O4i—Pb1—Br2101.97 (11)O3—Se2—Pb2101.54 (15)
O1ii—Pb1—Br280.66 (10)O2—Se2—Pb247.60 (15)
O3iii—Pb1—Br2174.93 (8)O6—Se2—Br1v89.02 (14)
O6—Pb1—Br272.42 (10)O3—Se2—Br1v165.22 (16)
O2iii—Pb1—Br2128.07 (9)O2—Se2—Br1v80.66 (14)
Br2iii—Pb1—Br2112.776 (19)Pb2—Se2—Br1v86.302 (16)
O4i—Pb1—Br1149.94 (10)O6—Se2—Pb1vi111.06 (15)
O1ii—Pb1—Br1122.34 (9)O3—Se2—Pb1vi44.88 (15)
O3iii—Pb1—Br1118.25 (9)O2—Se2—Pb1vi50.61 (14)
O6—Pb1—Br175.45 (9)Pb2—Se2—Pb1vi73.944 (13)
O2iii—Pb1—Br172.59 (8)Br1v—Se2—Pb1vi128.21 (2)
Br2iii—Pb1—Br169.216 (17)Pb2—Br1—Pb2iii124.55 (2)
Br2—Pb1—Br166.513 (16)Pb2—Br1—Pb2viii102.393 (19)
O4i—Pb1—Se2iii83.91 (10)Pb2iii—Br1—Pb2viii101.946 (19)
O1ii—Pb1—Se2iii122.60 (10)Pb2—Br1—Se2iv68.399 (17)
O3iii—Pb1—Se2iii27.81 (8)Pb2iii—Br1—Se2iv71.917 (18)
O6—Pb1—Se2iii87.86 (10)Pb2viii—Br1—Se2iv73.812 (15)
O2iii—Pb1—Se2iii28.96 (8)Pb2—Br1—Pb181.561 (16)
Br2iii—Pb1—Se2iii73.406 (16)Pb2iii—Br1—Pb178.424 (15)
Br2—Pb1—Se2iii156.743 (15)Pb2viii—Br1—Pb1174.61 (2)
Br1—Pb1—Se2iii97.145 (15)Se2iv—Br1—Pb1111.25 (2)
O4i—Pb1—Pb2iii134.04 (10)Pb2—Br1—Br254.105 (16)
O1ii—Pb1—Pb2iii131.63 (10)Pb2iii—Br1—Br2133.98 (2)
O3iii—Pb1—Pb2iii70.83 (9)Pb2viii—Br1—Br2123.86 (2)
O6—Pb1—Pb2iii89.48 (9)Se2iv—Br1—Br2121.75 (2)
O2iii—Pb1—Pb2iii37.44 (9)Pb1—Br1—Br255.553 (14)
Br2iii—Pb1—Pb2iii48.433 (11)Pb2—Br1—Br2iii134.93 (2)
Br2—Pb1—Pb2iii113.951 (12)Pb2iii—Br1—Br2iii52.899 (15)
Br1—Pb1—Pb2iii47.438 (13)Pb2viii—Br1—Br2iii122.57 (2)
Se2iii—Pb1—Pb2iii52.101 (10)Se2iv—Br1—Br2iii123.96 (2)
O4i—Pb1—Pb2105.47 (10)Pb1—Br1—Br2iii53.374 (14)
O1ii—Pb1—Pb2127.50 (10)Br2—Br1—Br2iii94.042 (18)
O3iii—Pb1—Pb2137.41 (8)Pb2—Br1—Br1viii127.75 (2)
O6—Pb1—Pb236.43 (9)Pb2iii—Br1—Br1viii52.604 (8)
O2iii—Pb1—Pb281.67 (9)Pb2viii—Br1—Br1viii49.343 (18)
Br2iii—Pb1—Pb2115.051 (12)Se2iv—Br1—Br1viii62.02 (2)
Br2—Pb1—Pb246.875 (11)Pb1—Br1—Br1viii130.775 (19)
Br1—Pb1—Pb245.835 (13)Br2—Br1—Br1viii172.33 (3)
Se2iii—Pb1—Pb2109.886 (11)Br2iii—Br1—Br1viii88.340 (14)
Pb2iii—Pb1—Pb281.603 (6)Pb2—Br1—Br1vii52.683 (8)
O4i—Pb1—Pb2iv85.87 (9)Pb2iii—Br1—Br1vii127.83 (2)
O1ii—Pb1—Pb2iv165.93 (9)Pb2viii—Br1—Br1vii49.710 (18)
O3iii—Pb1—Pb2iv79.70 (9)Se2iv—Br1—Br1vii59.18 (2)
O6—Pb1—Pb2iv36.95 (10)Pb1—Br1—Br1vii134.10 (2)
O2iii—Pb1—Pb2iv30.40 (10)Br2—Br1—Br1vii89.664 (14)
Br2iii—Pb1—Pb2iv106.519 (12)Br2iii—Br1—Br1vii171.82 (3)
Br2—Pb1—Pb2iv104.069 (12)Br1viii—Br1—Br1vii87.08 (2)
Br1—Pb1—Pb2iv71.333 (12)Cu1—Br2—Pb2125.53 (2)
Se2iii—Pb1—Pb2iv53.482 (11)Cu1—Br2—Pb1vi126.25 (3)
Pb2iii—Pb1—Pb2iv58.982 (6)Pb2—Br2—Pb1vi80.552 (16)
Pb2—Pb1—Pb2iv58.139 (5)Cu1—Br2—Pb1116.42 (3)
O2iv—Pb2—O2101.19 (7)Pb2—Br2—Pb182.355 (16)
O2iv—Pb2—O674.95 (13)Pb1vi—Br2—Pb1112.775 (19)
O2—Pb2—O658.62 (14)Cu1—Br2—Se1vi56.27 (2)
O2iv—Pb2—O6v67.71 (14)Pb2—Br2—Se1vi118.90 (2)
O2—Pb2—O6v70.92 (12)Pb1vi—Br2—Se1vi70.006 (18)
O6—Pb2—O6v107.68 (8)Pb1—Br2—Se1vi158.33 (2)
O2iv—Pb2—Br178.39 (11)Cu1—Br2—Se147.83 (2)
O2—Pb2—Br1137.77 (9)Pb2—Br2—Se1120.12 (2)
O6—Pb2—Br181.26 (10)Pb1vi—Br2—Se1158.69 (2)
O6v—Pb2—Br1140.49 (9)Pb1—Br2—Se168.597 (18)
O2iv—Pb2—Br1vi143.78 (10)Se1vi—Br2—Se1100.87 (2)
O2—Pb2—Br1vi80.27 (10)Cu1—Br2—Br192.54 (2)
O6—Pb2—Br1vi131.09 (9)Pb2—Br2—Br152.915 (15)
O6v—Pb2—Br1vi79.06 (10)Pb1vi—Br2—Br1132.53 (2)
Br1—Pb2—Br1vi124.55 (2)Pb1—Br2—Br157.934 (16)
O2iv—Pb2—Br2141.33 (10)Se1vi—Br2—Br1137.14 (2)
O2—Pb2—Br283.88 (9)Se1—Br2—Br167.342 (18)
O6—Pb2—Br275.48 (9)Cu1—Br2—Br1vi99.24 (2)
O6v—Pb2—Br2146.33 (9)Pb2—Br2—Br1vi52.240 (15)
Br1—Pb2—Br272.980 (18)Pb1vi—Br2—Br1vi57.409 (16)
Br1vi—Pb2—Br274.859 (18)Pb1—Br2—Br1vi133.75 (2)
O2iv—Pb2—Br1vii81.29 (9)Se1vi—Br2—Br1vi66.826 (19)
O2—Pb2—Br1vii144.19 (9)Se1—Br2—Br1vi138.08 (2)
O6—Pb2—Br1vii151.08 (10)Br1—Br2—Br1vi94.041 (18)
O6v—Pb2—Br1vii77.40 (8)O3ix—Cu1—O5vi91.46 (18)
Br1—Pb2—Br1vii77.973 (16)O3ix—Cu1—O490.89 (18)
Br1vi—Pb2—Br1vii77.686 (15)O5vi—Cu1—O4177.55 (17)
Br2—Pb2—Br1vii116.515 (17)O3ix—Cu1—O1165.93 (18)
O2iv—Pb2—Se289.67 (9)O5vi—Cu1—O1101.66 (17)
O2—Pb2—Se229.44 (10)O4—Cu1—O175.94 (16)
O6—Pb2—Se229.31 (10)O3ix—Cu1—O5x94.04 (16)
O6v—Pb2—Se290.89 (8)O5vi—Cu1—O5x78.77 (18)
Br1—Pb2—Se2109.123 (17)O4—Cu1—O5x101.73 (17)
Br1vi—Pb2—Se2105.304 (17)O1—Cu1—O5x93.49 (16)
Br2—Pb2—Se276.091 (15)O3ix—Cu1—Se1127.60 (13)
Br1vii—Pb2—Se2167.250 (17)O5vi—Cu1—Se1138.57 (12)
O2iv—Pb2—Pb1vi140.95 (9)O4—Cu1—Se138.99 (11)
O2—Pb2—Pb1vi40.24 (10)O1—Cu1—Se138.44 (12)
O6—Pb2—Pb1vi76.97 (9)O5x—Cu1—Se1107.74 (12)
O6v—Pb2—Pb1vi96.20 (9)O3ix—Cu1—Br290.66 (13)
Br1—Pb2—Pb1vi123.212 (13)O5vi—Cu1—Br292.42 (13)
Br1vi—Pb2—Pb1vi54.137 (12)O4—Cu1—Br286.87 (13)
Br2—Pb2—Pb1vi51.013 (14)O1—Cu1—Br283.80 (12)
Br1vii—Pb2—Pb1vi131.561 (15)O5x—Cu1—Br2170.11 (10)
Se2—Pb2—Pb1vi53.954 (11)Se1—Cu1—Br275.90 (3)
O2iv—Pb2—Pb2v84.95 (10)Se1—O1—Cu193.42 (16)
O2—Pb2—Pb2v32.92 (9)Se1—O1—Pb1ii133.1 (2)
O6—Pb2—Pb2v80.70 (10)Cu1—O1—Pb1ii121.92 (19)
O6v—Pb2—Pb2v38.01 (8)Se2—O2—Pb2v119.8 (2)
Br1—Pb2—Pb2v158.063 (14)Se2—O2—Pb2103.0 (2)
Br1vi—Pb2—Pb2v77.089 (13)Pb2v—O2—Pb2113.01 (13)
Br2—Pb2—Pb2v114.041 (14)Se2—O2—Pb1vi100.43 (16)
Br1vii—Pb2—Pb2v113.687 (14)Pb2v—O2—Pb1vi115.94 (18)
Se2—Pb2—Pb2v56.159 (12)Pb2—O2—Pb1vi102.32 (14)
Pb1vi—Pb2—Pb2v64.056 (5)Se2—O3—Cu1i123.3 (2)
O2iv—Pb2—Pb2iv34.07 (9)Se2—O3—Pb1vi107.31 (18)
O2—Pb2—Pb2iv79.97 (10)Cu1i—O3—Pb1vi128.74 (19)
O6—Pb2—Pb2iv40.88 (9)Se1—O4—Cu195.27 (17)
O6v—Pb2—Pb2iv85.14 (10)Se1—O4—Pb1ix130.7 (2)
Br1—Pb2—Pb2iv77.286 (13)Cu1—O4—Pb1ix118.6 (2)
Br1vi—Pb2—Pb2iv157.868 (15)Se1—O5—Cu1iii119.2 (2)
Br2—Pb2—Pb2iv112.684 (15)Se1—O5—Cu1x131.1 (2)
Br1vii—Pb2—Pb2iv113.974 (14)Cu1iii—O5—Cu1x101.23 (18)
Se2—Pb2—Pb2iv59.227 (12)Se2—O6—Pb1121.82 (19)
Pb1vi—Pb2—Pb2iv113.176 (8)Se2—O6—Pb2100.5 (2)
Pb2v—Pb2—Pb2iv80.912 (9)Pb1—O6—Pb2107.54 (15)
O5—Se1—O1103.3 (2)Se2—O6—Pb2iv114.2 (2)
O5—Se1—O4103.9 (2)Pb1—O6—Pb2iv108.99 (16)
O1—Se1—O491.92 (19)Pb2—O6—Pb2iv101.11 (12)
O5—Se1—Cu1120.60 (15)
Symmetry codes: (i) x1, 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, y1/2, z+1/2; (vi) x, y1, z; (vii) x+5/2, y1/2, z+1/2; (viii) x+5/2, y+1/2, z+1/2; (ix) x+1, y, z; (x) x+3, y, z.
(CuPb16) top
Crystal data top
Br6CuO12Pb6Se4F(000) = 3852
Mr = 2293.98Dx = 6.396 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 11.154 (6) ÅCell parameters from 2142 reflections
b = 12.950 (7) Åθ = 2.0–28.0°
c = 19.834 (9) ŵ = 59.34 mm1
β = 123.74 (2)°T = 293 K
V = 2382 (2) Å3Prism
Z = 4
Data collection top
Bruker Apex 2 Duo
diffractometer
θmax = 28.0°, θmin = 2.0°
11595 measured reflectionsh = 914
4940 independent reflectionsk = 1716
2639 reflections with I > 2σ(I)l = 2626
Rint = 0.062
Refinement top
Refinement on F26 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) = 0.069Δρmax = 2.03 e Å3
S = 0.58Δρmin = 1.77 e Å3
4940 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
263 parametersExtinction coefficient: 0.000021 (3)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pb10.04434 (7)0.36503 (5)0.42525 (4)0.02016 (16)
Pb20.21887 (6)0.11687 (5)0.42564 (4)0.01737 (15)
Pb30.35942 (6)0.62173 (5)0.26692 (4)0.01977 (16)
Pb40.14366 (6)0.64405 (5)0.26658 (4)0.01882 (15)
Pb50.54697 (7)0.35426 (5)0.43195 (4)0.01884 (16)
Pb60.13196 (6)0.35873 (5)0.24282 (4)0.01725 (15)
Br10.29228 (17)0.49210 (13)0.41967 (11)0.0209 (4)
Br20.03693 (17)0.00602 (12)0.41148 (11)0.0180 (4)
Br30.47060 (18)0.01459 (13)0.40382 (11)0.0235 (4)
Br40.10569 (17)0.50702 (14)0.26692 (11)0.0260 (4)
Br50.20031 (17)0.47682 (13)0.42914 (11)0.0223 (4)
Br60.38236 (16)0.00957 (13)0.23991 (11)0.0230 (4)
Se10.25594 (15)0.16806 (12)0.59581 (10)0.0136 (4)
Se20.15844 (15)0.18278 (12)0.57187 (10)0.0134 (3)
Se30.36883 (15)0.30926 (11)0.27552 (10)0.0129 (3)
Se40.27165 (15)0.17282 (11)0.38816 (9)0.0124 (3)
Cu10.55014 (19)0.26365 (14)0.08211 (12)0.0131 (4)
O10.0076 (10)0.2284 (7)0.4983 (7)0.020 (3)
O20.4038 (11)0.2513 (7)0.3407 (6)0.015 (3)
O30.1136 (10)0.2390 (8)0.3473 (6)0.016 (3)
O40.0964 (10)0.2254 (8)0.6656 (7)0.020 (3)
O50.2874 (11)0.2153 (7)0.5068 (7)0.017 (3)
O60.3193 (10)0.2250 (8)0.3256 (6)0.015 (2)
O70.2069 (10)0.2513 (8)0.3103 (7)0.019 (3)
O80.4915 (10)0.2388 (8)0.1930 (6)0.018 (3)
O90.1886 (11)0.2378 (8)0.6578 (7)0.022 (3)
O100.2523 (10)0.2620 (8)0.5467 (7)0.021 (3)
O110.3945 (10)0.2415 (8)0.4710 (6)0.019 (3)
O120.3531 (10)0.2536 (8)0.6164 (7)0.024 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.0226 (3)0.0236 (3)0.0181 (3)0.0026 (3)0.0137 (3)0.0027 (3)
Pb20.0172 (3)0.0198 (3)0.0159 (3)0.0001 (2)0.0097 (3)0.0005 (3)
Pb30.0206 (3)0.0223 (3)0.0203 (4)0.0023 (3)0.0138 (3)0.0009 (3)
Pb40.0233 (3)0.0193 (3)0.0184 (3)0.0009 (3)0.0143 (3)0.0013 (3)
Pb50.0209 (3)0.0217 (3)0.0178 (4)0.0021 (3)0.0132 (3)0.0005 (3)
Pb60.0166 (3)0.0195 (3)0.0168 (3)0.0007 (2)0.0100 (3)0.0002 (3)
Br10.0219 (8)0.0248 (8)0.0183 (9)0.0006 (7)0.0126 (7)0.0019 (8)
Br20.0204 (7)0.0204 (8)0.0168 (8)0.0001 (7)0.0125 (6)0.0007 (7)
Br30.0232 (9)0.0239 (9)0.0286 (11)0.0024 (7)0.0176 (8)0.0017 (8)
Br40.0226 (9)0.0361 (10)0.0235 (10)0.0070 (8)0.0154 (8)0.0091 (9)
Br50.0201 (8)0.0291 (9)0.0221 (9)0.0025 (7)0.0145 (7)0.0064 (8)
Br60.0222 (9)0.0269 (9)0.0261 (10)0.0020 (7)0.0173 (8)0.0024 (8)
Se10.0135 (7)0.0175 (8)0.0118 (8)0.0005 (6)0.0082 (6)0.0021 (6)
Se20.0141 (7)0.0163 (8)0.0121 (8)0.0013 (6)0.0087 (6)0.0004 (6)
Se30.0133 (7)0.0164 (8)0.0113 (8)0.0010 (6)0.0082 (6)0.0018 (6)
Se40.0128 (7)0.0162 (8)0.0104 (8)0.0003 (6)0.0080 (6)0.0015 (6)
Cu10.0127 (8)0.0212 (10)0.0090 (9)0.0009 (8)0.0082 (7)0.0007 (8)
O10.012 (5)0.013 (5)0.025 (7)0.006 (4)0.004 (5)0.002 (5)
O20.026 (6)0.014 (5)0.009 (6)0.009 (5)0.012 (5)0.003 (5)
O30.019 (6)0.019 (6)0.014 (6)0.002 (4)0.011 (5)0.007 (5)
O40.012 (5)0.031 (6)0.022 (6)0.003 (5)0.012 (5)0.002 (6)
O50.027 (6)0.009 (5)0.018 (6)0.004 (4)0.016 (5)0.009 (5)
O60.027 (6)0.013 (6)0.011 (6)0.002 (4)0.016 (5)0.001 (4)
O70.018 (5)0.026 (6)0.025 (7)0.001 (5)0.019 (5)0.001 (5)
O80.018 (5)0.027 (6)0.007 (5)0.008 (5)0.005 (4)0.009 (5)
O90.034 (6)0.022 (6)0.020 (7)0.002 (5)0.021 (5)0.003 (5)
O100.021 (6)0.025 (6)0.024 (7)0.005 (5)0.017 (5)0.004 (5)
O110.017 (5)0.029 (5)0.005 (5)0.006 (4)0.004 (4)0.005 (4)
O120.010 (5)0.025 (6)0.026 (7)0.000 (4)0.003 (5)0.014 (6)
Geometric parameters (Å, º) top
Pb1—O12.548 (12)Br5—Pb1i3.159 (2)
Pb1—O102.599 (10)Br6—Pb6viii3.125 (2)
Pb1—O32.642 (11)Se1—O41.702 (10)
Pb1—Br53.128 (2)Se1—O51.710 (12)
Pb1—Br5i3.159 (2)Se1—O121.749 (12)
Pb1—Br43.195 (2)Se2—O91.700 (13)
Pb2—O12.438 (9)Se2—O11.705 (9)
Pb2—O52.484 (12)Se2—O101.725 (13)
Pb2—O22.503 (9)Se3—O81.702 (9)
Pb2—Br33.101 (2)Se3—O71.708 (10)
Pb2—Br2ii3.131 (2)Se3—O21.717 (12)
Pb3—O9i2.451 (11)Se4—O111.694 (10)
Pb3—O6iii2.503 (12)Se4—O31.706 (10)
Pb3—O8iv2.676 (12)Se4—O61.735 (12)
Pb3—Br43.196 (2)Cu1—O12vii1.919 (11)
Pb4—O4i2.395 (12)Cu1—O11x1.931 (12)
Pb4—O7iii2.438 (12)Cu1—O10x1.935 (11)
Pb4—O12i2.564 (9)Cu1—O81.942 (12)
Pb4—Br13.201 (2)Cu1—Br3iv2.882 (3)
Pb5—O5v2.410 (9)O2—Pb5xi2.541 (12)
Pb5—O2v2.541 (12)O4—Pb6xii2.385 (10)
Pb5—O112.662 (12)O4—Pb4i2.395 (12)
Pb5—Br1vi3.158 (2)O5—Pb5xi2.410 (9)
Pb6—O4vii2.385 (10)O6—Pb3viii2.503 (12)
Pb6—O9vii2.446 (13)O7—Pb4viii2.438 (12)
Pb6—O62.500 (10)O8—Pb3ix2.676 (12)
Pb6—O32.685 (12)O9—Pb6xii2.446 (13)
Pb6—Br6iii3.125 (2)O9—Pb3i2.451 (11)
Pb6—Br2iii3.186 (2)O10—Cu1xiii1.935 (11)
Br1—Pb5vi3.158 (2)O11—Cu1xiii1.931 (12)
Br2—Pb2ii3.131 (2)O12—Cu1xii1.919 (11)
Br2—Pb6viii3.186 (2)O12—Pb4i2.564 (9)
Br3—Cu1ix2.882 (3)
O1—Pb1—O1059.0 (3)Cu1ix—Br3—Pb2121.04 (8)
O1—Pb1—O397.8 (4)Pb1—Br4—Pb3104.35 (7)
O10—Pb1—O379.9 (4)Pb1—Br5—Pb1i106.12 (6)
O1—Pb1—Br580.2 (3)O4—Se1—O5101.9 (6)
O10—Pb1—Br5123.8 (3)O4—Se1—O1292.1 (5)
O3—Pb1—Br5147.5 (2)O5—Se1—O12102.4 (6)
O1—Pb1—Br5i96.6 (3)O9—Se2—O1103.2 (6)
O10—Pb1—Br5i74.4 (3)O9—Se2—O10103.1 (6)
O3—Pb1—Br5i138.1 (2)O1—Se2—O1095.2 (5)
Br5—Pb1—Br5i73.88 (6)O8—Se3—O7104.9 (5)
O1—Pb1—Br4142.9 (2)O8—Se3—O295.3 (5)
O10—Pb1—Br4156.5 (3)O7—Se3—O297.8 (5)
O3—Pb1—Br486.8 (2)O11—Se4—O3105.2 (5)
Br5—Pb1—Br476.70 (6)O11—Se4—O694.9 (5)
Br5i—Pb1—Br4104.32 (6)O3—Se4—O696.4 (5)
O1—Pb2—O581.8 (4)O12vii—Cu1—O11x88.7 (5)
O1—Pb2—O298.6 (3)O12vii—Cu1—O10x163.4 (4)
O5—Pb2—O269.1 (3)O11x—Cu1—O10x90.1 (5)
O1—Pb2—Br3155.6 (3)O12vii—Cu1—O888.9 (5)
O5—Pb2—Br378.0 (2)O11x—Cu1—O8168.4 (4)
O2—Pb2—Br386.8 (3)O10x—Cu1—O888.9 (5)
O1—Pb2—Br2ii80.3 (3)O12vii—Cu1—Br3iv93.9 (3)
O5—Pb2—Br2ii81.3 (2)O11x—Cu1—Br3iv95.9 (3)
O2—Pb2—Br2ii150.2 (3)O10x—Cu1—Br3iv102.7 (3)
Br3—Pb2—Br2ii83.27 (6)O8—Cu1—Br3iv95.6 (3)
O9i—Pb3—O6iii69.8 (4)Se2—O1—Pb2122.3 (5)
O9i—Pb3—O8iv78.5 (4)Se2—O1—Pb1104.2 (5)
O6iii—Pb3—O8iv108.0 (3)Pb2—O1—Pb1121.7 (4)
O9i—Pb3—Br487.5 (3)Se3—O2—Pb2111.3 (5)
O6iii—Pb3—Br474.3 (2)Se3—O2—Pb5xi122.4 (5)
O8iv—Pb3—Br4163.6 (2)Pb2—O2—Pb5xi108.0 (4)
O4i—Pb4—O7iii100.3 (4)Se4—O3—Pb1126.4 (5)
O4i—Pb4—O12i60.0 (4)Se4—O3—Pb698.9 (5)
O7iii—Pb4—O12i80.6 (4)Pb1—O3—Pb6105.5 (3)
O4i—Pb4—Br193.5 (3)Se1—O4—Pb6xii125.8 (6)
O7iii—Pb4—Br1140.0 (2)Se1—O4—Pb4i107.9 (5)
O12i—Pb4—Br174.2 (3)Pb6xii—O4—Pb4i116.8 (4)
O5v—Pb5—O2v69.7 (4)Se1—O5—Pb5xi123.4 (6)
O5v—Pb5—O1178.8 (3)Se1—O5—Pb2121.6 (5)
O2v—Pb5—O11110.2 (3)Pb5xi—O5—Pb2113.0 (4)
O5v—Pb5—Br1vi93.0 (3)Se4—O6—Pb6105.2 (5)
O2v—Pb5—Br1vi139.4 (2)Se4—O6—Pb3viii124.5 (5)
O11—Pb5—Br1vi101.4 (2)Pb6—O6—Pb3viii108.3 (4)
O4vii—Pb6—O9vii85.2 (4)Se3—O7—Pb4viii127.3 (6)
O4vii—Pb6—O6108.1 (3)Se3—O8—Cu1125.8 (6)
O9vii—Pb6—O669.9 (4)Se3—O8—Pb3ix108.6 (6)
O4vii—Pb6—O373.7 (3)Cu1—O8—Pb3ix123.8 (4)
O9vii—Pb6—O3113.3 (4)Se2—O9—Pb6xii119.6 (5)
O6—Pb6—O359.2 (4)Se2—O9—Pb3i125.1 (6)
O4vii—Pb6—Br6iii152.9 (3)Pb6xii—O9—Pb3i111.8 (5)
O9vii—Pb6—Br6iii78.3 (3)Se2—O10—Cu1xiii123.0 (6)
O6—Pb6—Br6iii86.3 (3)Se2—O10—Pb1101.6 (4)
O3—Pb6—Br6iii132.6 (2)Cu1xiii—O10—Pb1132.4 (6)
O4vii—Pb6—Br2iii78.8 (3)Se4—O11—Cu1xiii131.5 (7)
O9vii—Pb6—Br2iii83.4 (3)Se4—O11—Pb5108.0 (6)
O6—Pb6—Br2iii151.4 (3)Cu1xiii—O11—Pb5120.0 (4)
O3—Pb6—Br2iii146.0 (2)Se1—O12—Cu1xii125.4 (6)
Br6iii—Pb6—Br2iii78.12 (6)Se1—O12—Pb4i99.7 (4)
Pb5vi—Br1—Pb4102.91 (6)Cu1xii—O12—Pb4i132.0 (6)
Pb2ii—Br2—Pb6viii112.67 (6)
O9—Se2—O1—Pb2111.8 (7)O3—Se4—O6—Pb3viii120.5 (5)
O10—Se2—O1—Pb2143.4 (8)O8—Se3—O7—Pb4viii23.3 (8)
O9—Se2—O1—Pb1104.9 (6)O2—Se3—O7—Pb4viii121.0 (7)
O10—Se2—O1—Pb10.1 (6)O7—Se3—O8—Cu189.6 (8)
O8—Se3—O2—Pb2100.1 (5)O2—Se3—O8—Cu1170.9 (7)
O7—Se3—O2—Pb25.8 (6)O7—Se3—O8—Pb3ix105.3 (6)
O8—Se3—O2—Pb5xi130.0 (6)O2—Se3—O8—Pb3ix5.7 (5)
O7—Se3—O2—Pb5xi124.1 (6)O1—Se2—O9—Pb6xii95.5 (6)
O11—Se4—O3—Pb124.6 (8)O10—Se2—O9—Pb6xii165.9 (6)
O6—Se4—O3—Pb1121.5 (7)O1—Se2—O9—Pb3i107.5 (6)
O11—Se4—O3—Pb692.2 (5)O10—Se2—O9—Pb3i8.8 (7)
O6—Se4—O3—Pb64.6 (4)O9—Se2—O10—Cu1xiii92.4 (8)
O5—Se1—O4—Pb6xii107.6 (8)O1—Se2—O10—Cu1xiii162.7 (8)
O12—Se1—O4—Pb6xii149.2 (8)O9—Se2—O10—Pb1105.0 (5)
O5—Se1—O4—Pb4i107.5 (6)O1—Se2—O10—Pb10.1 (6)
O12—Se1—O4—Pb4i4.4 (6)O3—Se4—O11—Cu1xiii88.1 (9)
O4—Se1—O5—Pb5xi101.3 (6)O6—Se4—O11—Cu1xiii173.9 (8)
O12—Se1—O5—Pb5xi6.4 (7)O3—Se4—O11—Pb5100.3 (6)
O4—Se1—O5—Pb295.8 (6)O6—Se4—O11—Pb52.3 (5)
O12—Se1—O5—Pb2169.3 (5)O4—Se1—O12—Cu1xii166.4 (9)
O11—Se4—O6—Pb6100.9 (5)O5—Se1—O12—Cu1xii91.0 (9)
O3—Se4—O6—Pb65.1 (5)O4—Se1—O12—Pb4i3.9 (6)
O11—Se4—O6—Pb3viii133.5 (6)O5—Se1—O12—Pb4i106.6 (5)
Symmetry codes: (i) x, y1, z1; (ii) x, y, z1; (iii) x, y1/2, z1/2; (iv) x+1, y1/2, z1/2; (v) x1, y, z; (vi) x1, y1, z1; (vii) x, y1/2, z+1/2; (viii) x, y+1/2, z1/2; (ix) x+1, y+1/2, z1/2; (x) x+1, y1/2, z+1/2; (xi) x+1, y, z; (xii) x, y1/2, z1/2; (xiii) x1, y1/2, z1/2.
(CuPb21) top
Crystal data top
Br0.67Cu0.67O2Pb0.33Se0.67F(000) = 1304
Mr = 249.34Dx = 5.427 Mg m3
Orthorhombic, CmcmMo Kα radiation, λ = 0.71073 Å
a = 8.275 (8) ÅCell parameters from 340 reflections
b = 9.303 (9) Åθ = 3.3–27.5°
c = 11.891 (12) ŵ = 39.62 mm1
V = 915.4 (15) Å3T = 296 K
Z = 12Prism
Data collection top
Bruker Apex2 Duo
diffractometer
θmax = 27.5°, θmin = 3.3°
1577 measured reflectionsh = 510
553 independent reflectionsk = 128
431 reflections with I > 2σ(I)l = 515
Rint = 0.053
Refinement top
Refinement on F26 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) = 0.075Δρmax = 1.93 e Å3
S = 1.02Δρmin = 2.12 e Å3
553 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
39 parametersExtinction coefficient: 0.00035 (7)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pb10.00000.33496 (9)0.25000.0130 (3)
Se10.00000.31221 (15)0.54036 (11)0.0062 (4)
Br10.22773 (18)0.07717 (17)0.25000.0128 (4)
Cu10.1862 (2)0.00000.50000.0100 (5)
O10.1531 (8)0.3602 (7)0.4531 (6)0.0103 (16)
O20.00000.1287 (11)0.5177 (9)0.012 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.0179 (6)0.0095 (5)0.0114 (4)0.0000.0000.000
Se10.0045 (8)0.0047 (8)0.0095 (7)0.0000.0000.0006 (5)
Br10.0121 (9)0.0134 (9)0.0128 (7)0.0047 (7)0.0000.000
Cu10.0042 (10)0.0041 (10)0.0216 (10)0.0000.0000.0014 (7)
O10.004 (4)0.007 (4)0.020 (4)0.003 (3)0.001 (3)0.002 (3)
O20.008 (5)0.003 (5)0.025 (5)0.0000.0000.004 (4)
Geometric parameters (Å, º) top
Pb1—O1i2.737 (7)Se1—O11.697 (7)
Pb1—O1ii2.737 (7)Se1—O21.728 (10)
Pb1—O1iii2.737 (7)Br1—Pb1vi3.187 (3)
Pb1—O12.737 (7)Cu1—O1vii1.942 (7)
Pb1—Br13.050 (3)Cu1—O1viii1.942 (7)
Pb1—Br1i3.050 (3)Cu1—O21.963 (7)
Pb1—Br1iv3.187 (3)Cu1—O2ix1.963 (7)
Pb1—Br1v3.187 (3)O1—Cu1vii1.942 (7)
Se1—O1ii1.697 (7)O2—Cu1ix1.963 (7)
O1i—Pb1—O1ii123.8 (3)O1ii—Pb1—Br1v67.18 (15)
O1i—Pb1—O1iii55.1 (3)O1iii—Pb1—Br1v105.46 (15)
O1ii—Pb1—O1iii170.2 (3)O1—Pb1—Br1v105.46 (15)
O1i—Pb1—O1170.2 (3)Br1—Pb1—Br1v173.16 (6)
O1ii—Pb1—O155.1 (3)Br1i—Pb1—Br1v96.85 (8)
O1iii—Pb1—O1123.8 (3)Br1iv—Pb1—Br1v89.99 (10)
O1i—Pb1—Br1110.70 (15)O1ii—Se1—O196.5 (5)
O1ii—Pb1—Br1110.70 (15)O1ii—Se1—O299.5 (3)
O1iii—Pb1—Br177.38 (15)O1—Se1—O299.5 (3)
O1—Pb1—Br177.38 (15)Pb1—Br1—Pb1vi173.16 (6)
O1i—Pb1—Br1i77.38 (15)O1vii—Cu1—O1viii93.6 (4)
O1ii—Pb1—Br1i77.38 (15)O1vii—Cu1—O295.6 (3)
O1iii—Pb1—Br1i110.70 (15)O1viii—Cu1—O2167.7 (3)
O1—Pb1—Br1i110.70 (15)O1vii—Cu1—O2ix167.7 (3)
Br1—Pb1—Br1i76.32 (10)O1viii—Cu1—O2ix95.6 (3)
O1i—Pb1—Br1iv105.46 (15)O2—Cu1—O2ix76.5 (5)
O1ii—Pb1—Br1iv105.46 (15)Se1—O1—Cu1vii120.8 (4)
O1iii—Pb1—Br1iv67.18 (15)Se1—O1—Pb199.9 (3)
O1—Pb1—Br1iv67.18 (15)Cu1vii—O1—Pb1128.9 (3)
Br1—Pb1—Br1iv96.85 (8)Se1—O2—Cu1ix128.3 (2)
Br1i—Pb1—Br1iv173.17 (6)Se1—O2—Cu1128.3 (2)
O1i—Pb1—Br1v67.18 (15)Cu1ix—O2—Cu1103.5 (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) x1/2, y+1/2, z; (vi) x+1/2, y1/2, z; (vii) x+1/2, y+1/2, z+1; (viii) x+1/2, y1/2, z; (ix) x, y, z+1.
(CuPb41) top
Crystal data top
BrCu2O6Pb0.50Se2F(000) = 2000
Mr = 564.51Dx = 5.086 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 19.434 (8) ÅCell parameters from 2105 reflections
b = 8.542 (3) Åθ = 2.1–36.8°
c = 9.039 (3) ŵ = 32.40 mm1
β = 100.684 (10)°T = 296 K
V = 1474.6 (10) Å3Prism
Z = 8
Data collection top
Bruker Apex2 Duo
diffractometer
θmax = 36.8°, θmin = 2.1°
11030 measured reflectionsh = 3211
3598 independent reflectionsk = 1414
2835 reflections with I > 2σ(I)l = 1515
Rint = 0.047
Refinement top
Refinement on F20 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) = 0.084Δρmax = 4.64 e Å3
S = 1.01Δρmin = 3.22 e Å3
3598 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
106 parametersExtinction coefficient: 0.00009 (4)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pb10.00000.01049 (2)0.25000.01083 (7)
Se10.18424 (3)0.02022 (4)0.34453 (4)0.00752 (9)
Se20.12344 (3)0.56964 (4)0.28080 (4)0.00829 (9)
Br10.01836 (3)0.25103 (5)0.02374 (5)0.01356 (10)
Cu10.17438 (3)0.33100 (5)0.49072 (5)0.00873 (12)
Cu20.13466 (3)0.25055 (5)0.59093 (5)0.00843 (12)
O10.1530 (2)0.5642 (3)0.4758 (3)0.0098 (6)
O20.2058 (2)0.1171 (3)0.4829 (3)0.0101 (6)
O30.1871 (2)0.6615 (3)0.2132 (3)0.0108 (6)
O40.1244 (2)0.0707 (3)0.2120 (3)0.0109 (6)
O50.1484 (2)0.3754 (3)0.2729 (3)0.0109 (6)
O60.12201 (19)0.1304 (3)0.4080 (3)0.0097 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.01309 (14)0.00903 (9)0.01039 (10)0.0000.00218 (9)0.000
Se10.0111 (2)0.00458 (14)0.00711 (16)0.00013 (15)0.00222 (16)0.00023 (11)
Se20.0137 (2)0.00565 (15)0.00560 (15)0.00039 (15)0.00204 (15)0.00063 (11)
Br10.0157 (3)0.01294 (17)0.01216 (17)0.00269 (17)0.00302 (18)0.00289 (13)
Cu10.0162 (3)0.00440 (18)0.00583 (19)0.00093 (19)0.0027 (2)0.00017 (15)
Cu20.0162 (3)0.00380 (17)0.00569 (19)0.00025 (19)0.0030 (2)0.00023 (14)
O10.0181 (19)0.0056 (10)0.0056 (11)0.0009 (12)0.0021 (12)0.0002 (9)
O20.0141 (18)0.0053 (10)0.0103 (12)0.0008 (12)0.0009 (12)0.0025 (9)
O30.017 (2)0.0090 (11)0.0076 (11)0.0038 (12)0.0047 (12)0.0008 (9)
O40.0164 (19)0.0071 (11)0.0087 (12)0.0004 (12)0.0014 (12)0.0037 (9)
O50.021 (2)0.0044 (10)0.0070 (11)0.0001 (12)0.0020 (12)0.0003 (9)
O60.0139 (19)0.0084 (11)0.0074 (11)0.0015 (12)0.0033 (12)0.0037 (9)
Geometric parameters (Å, º) top
Pb1—O42.599 (4)Cu1—O51.977 (3)
Pb1—O4i2.599 (4)Cu1—O3ii1.981 (3)
Pb1—O6i2.731 (4)Cu1—O12.034 (3)
Pb1—O62.731 (4)Cu1—O2iii2.340 (4)
Pb1—Br13.0050 (9)Cu2—O4iv1.917 (3)
Pb1—Br1i3.0050 (9)Cu2—O61.923 (3)
Se1—O41.696 (3)Cu2—O5iv1.936 (3)
Se1—O21.710 (3)Cu2—O1v1.963 (3)
Se1—O61.713 (3)O1—Cu2vi1.963 (3)
Se2—O31.673 (3)O2—Cu1iii2.340 (4)
Se2—O51.734 (3)O3—Cu1vii1.981 (3)
Se2—O11.751 (3)O4—Cu2viii1.918 (3)
Se2—Cu12.8354 (9)O5—Cu2viii1.937 (3)
Cu1—O21.931 (3)
O4—Pb1—O4i149.03 (13)O5—Cu1—O2iii97.48 (14)
O4—Pb1—O6i140.35 (9)O3ii—Cu1—O2iii87.50 (13)
O4i—Pb1—O6i55.28 (9)O1—Cu1—O2iii90.47 (13)
O4—Pb1—O655.28 (9)O2—Cu1—Se2136.81 (9)
O4i—Pb1—O6140.35 (9)O5—Cu1—Se237.11 (8)
O6i—Pb1—O6135.92 (13)O3ii—Cu1—Se2128.19 (9)
O4—Pb1—Br172.99 (6)O1—Cu1—Se237.82 (8)
O4i—Pb1—Br184.00 (7)O2iii—Cu1—Se298.60 (7)
O6i—Pb1—Br186.62 (6)O4iv—Cu2—O693.04 (13)
O6—Pb1—Br1128.09 (7)O4iv—Cu2—O5iv88.24 (13)
O4—Pb1—Br1i84.01 (7)O6—Cu2—O5iv178.64 (14)
O4i—Pb1—Br1i72.99 (6)O4iv—Cu2—O1v175.35 (16)
O6i—Pb1—Br1i128.09 (7)O6—Cu2—O1v88.91 (12)
O6—Pb1—Br1i86.62 (6)O5iv—Cu2—O1v89.78 (12)
Br1—Pb1—Br1i83.96 (4)Se2—O1—Cu2vi117.03 (16)
O4—Se1—O2104.20 (15)Se2—O1—Cu196.75 (13)
O4—Se1—O693.11 (17)Cu2vi—O1—Cu1144.03 (15)
O2—Se1—O6102.96 (15)Se1—O2—Cu1129.78 (18)
O3—Se2—O5101.64 (17)Se1—O2—Cu1iii107.96 (16)
O3—Se2—O1104.67 (16)Cu1—O2—Cu1iii97.61 (13)
O5—Se2—O188.52 (14)Se2—O3—Cu1vii115.14 (18)
O3—Se2—Cu1113.06 (12)Se1—O4—Cu2viii129.8 (2)
O5—Se2—Cu143.46 (9)Se1—O4—Pb1108.49 (14)
O1—Se2—Cu145.44 (9)Cu2viii—O4—Pb1119.15 (16)
O2—Cu1—O599.73 (12)Se2—O5—Cu2viii124.50 (16)
O2—Cu1—O3ii94.99 (12)Se2—O5—Cu199.44 (13)
O5—Cu1—O3ii164.95 (13)Cu2viii—O5—Cu1135.23 (15)
O2—Cu1—O1170.32 (15)Se1—O6—Cu2126.6 (2)
O5—Cu1—O174.63 (11)Se1—O6—Pb1102.54 (12)
O3ii—Cu1—O191.20 (11)Cu2—O6—Pb1127.60 (16)
O2—Cu1—O2iii82.39 (13)
Symmetry codes: (i) x, y, z+1/2; (ii) x, y1, z+1/2; (iii) x+1/2, y1/2, z+1; (iv) x, y, z+1/2; (v) x, y+1, z; (vi) x, y1, z; (vii) x, y1, z1/2; (viii) x, y, z1/2.
(CuPb324) top
Crystal data top
Br0.40Cu1.50O7.50Pb1.20Se2.50F(000) = 2407
Mr = 693.30Dx = 5.610 Mg m3
Monoclinic, C2/mMo Kα radiation, λ = 0.71073 Å
a = 19.502 (7) ÅCell parameters from 1740 reflections
b = 5.2408 (19) Åθ = 2.1–28.0°
c = 16.469 (6) ŵ = 41.46 mm1
β = 102.769 (9)°T = 296 K
V = 1641.6 (10) Å3Prism
Z = 8
Data collection top
Bruker Apex 2 Duo
diffractometer
θmax = 28.0°, θmin = 2.1°
8724 measured reflectionsh = 2524
2192 independent reflectionsk = 66
1856 reflections with I > 2σ(I)l = 2120
Rint = 0.037
Refinement top
Refinement on F26 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) = 0.096Δρmax = 4.69 e Å3
S = 1.02Δρmin = 4.62 e Å3
2192 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
156 parametersExtinction coefficient: 0.00010 (3)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Pb10.27057 (3)0.50000.11910 (4)0.01790 (17)
Pb20.06944 (4)0.50000.30177 (5)0.0393 (2)
Pb30.00000.00000.50000.0429 (4)0.8
Se10.11980 (7)0.50000.23810 (9)0.0137 (3)
Se20.34645 (7)0.50000.06181 (8)0.0117 (3)
Se30.03431 (7)0.00000.14326 (10)0.0171 (3)
Se40.17456 (7)0.00000.34738 (9)0.0152 (3)
Se50.11184 (9)0.50000.45295 (10)0.0214 (3)
Cu10.39573 (9)0.50000.34409 (12)0.0158 (4)
Cu20.26646 (8)0.50000.27448 (11)0.0133 (4)
Cu30.11477 (9)0.50000.06780 (11)0.0127 (3)
Br10.00000.50000.00000.0280 (5)
Br20.2685 (3)0.50000.4611 (3)0.0297 (13)0.3
O10.2712 (5)0.50000.1351 (6)0.0120 (19)
O20.1543 (6)0.50000.1568 (7)0.026 (3)
O30.0870 (6)0.00000.3609 (8)0.031 (3)
O40.0851 (9)0.50000.5407 (9)0.065 (5)
O50.0236 (10)0.00000.2298 (14)0.098 (8)
O60.1924 (3)0.2476 (14)0.2781 (5)0.0196 (16)
O70.1623 (4)0.2480 (13)0.2964 (5)0.0207 (16)
O80.3268 (4)0.7458 (14)0.0024 (4)0.0173 (14)
O90.0871 (4)0.2490 (14)0.1567 (5)0.0251 (17)
O100.0611 (5)0.2579 (17)0.4008 (7)0.042 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.0202 (3)0.0143 (3)0.0206 (3)0.0000.0078 (2)0.000
Pb20.0233 (3)0.0667 (5)0.0288 (4)0.0000.0076 (3)0.000
Pb30.0195 (5)0.0951 (12)0.0152 (5)0.0000.0066 (4)0.000
Se10.0127 (6)0.0081 (6)0.0223 (7)0.0000.0084 (5)0.000
Se20.0132 (6)0.0100 (6)0.0123 (6)0.0000.0037 (5)0.000
Se30.0148 (6)0.0091 (6)0.0269 (8)0.0000.0034 (6)0.000
Se40.0201 (7)0.0093 (6)0.0157 (7)0.0000.0027 (5)0.000
Se50.0319 (8)0.0137 (7)0.0221 (8)0.0000.0137 (6)0.000
Cu10.0202 (8)0.0067 (8)0.0233 (9)0.0000.0109 (7)0.000
Cu20.0130 (7)0.0063 (7)0.0211 (9)0.0000.0046 (7)0.000
Cu30.0178 (8)0.0064 (7)0.0131 (8)0.0000.0019 (7)0.000
Br10.0192 (10)0.0298 (12)0.0398 (14)0.0000.0167 (10)0.000
Br20.012 (2)0.063 (4)0.010 (2)0.0000.0063 (18)0.000
O10.022 (4)0.001 (4)0.013 (4)0.0000.002 (4)0.000
O20.024 (6)0.030 (6)0.026 (6)0.0000.012 (5)0.000
O30.025 (6)0.028 (6)0.033 (7)0.0000.006 (5)0.000
O40.075 (11)0.106 (15)0.022 (7)0.0000.027 (8)0.000
O50.069 (12)0.093 (15)0.092 (15)0.0000.068 (12)0.000
O60.017 (3)0.010 (3)0.032 (4)0.007 (3)0.007 (3)0.004 (3)
O70.027 (4)0.002 (3)0.036 (4)0.006 (3)0.015 (3)0.005 (3)
O80.021 (3)0.014 (3)0.017 (3)0.005 (3)0.006 (3)0.005 (3)
O90.046 (5)0.011 (3)0.022 (4)0.013 (3)0.014 (4)0.003 (3)
O100.036 (5)0.026 (5)0.073 (7)0.008 (4)0.029 (5)0.030 (5)
Geometric parameters (Å, º) top
Pb1—O22.479 (11)Se4—O31.673 (12)
Pb1—O8i2.731 (7)Se4—O6viii1.712 (7)
Pb1—O8ii2.731 (7)Se4—O61.712 (7)
Pb1—O1i2.774 (3)Se4—Pb2xiii3.5091 (14)
Pb1—O1iii2.774 (3)Se5—O41.641 (14)
Pb1—O8iv2.800 (7)Se5—O101.717 (9)
Pb1—O8v2.800 (7)Se5—O10x1.717 (9)
Pb1—O6vi2.868 (8)Se5—Pb3ix3.6016 (14)
Pb1—O6iii2.868 (8)Cu1—O10xiv1.938 (8)
Pb1—O9vi3.005 (9)Cu1—O10xvi1.938 (8)
Pb1—O9iii3.005 (9)Cu1—O7xiv1.995 (7)
Pb1—Se2i3.4660 (13)Cu1—O7xvi1.995 (7)
Pb2—O4vii2.679 (14)Cu1—O5xiv2.170 (16)
Pb2—O9viii2.681 (7)Cu1—Br22.785 (5)
Pb2—O9ix2.681 (7)Cu1—Cu22.991 (3)
Pb2—O6viii2.690 (7)Cu1—Pb3xiv3.611 (2)
Pb2—O6ix2.690 (7)Cu2—O6ix1.950 (7)
Pb2—O3ix2.842 (5)Cu2—O6viii1.950 (7)
Pb2—O32.842 (5)Cu2—O7xvi1.993 (7)
Pb2—O10x2.986 (10)Cu2—O7xiv1.993 (7)
Pb2—O102.987 (10)Cu2—O12.277 (10)
Pb2—Se4ix3.5092 (14)Cu3—O9ix1.954 (8)
Pb2—Se43.5092 (14)Cu3—O9viii1.954 (8)
Pb2—Cu33.758 (2)Cu3—O8xvii1.957 (7)
Pb3—O3xi2.531 (12)Cu3—O8xviii1.957 (7)
Pb3—O32.531 (12)Cu3—Br12.7130 (19)
Pb3—O10viii2.603 (10)Cu3—Pb1xv3.6628 (15)
Pb3—O10xii2.603 (10)Cu3—Pb1xiv3.6628 (15)
Pb3—O10xi2.603 (10)Br1—Cu3iv2.7130 (19)
Pb3—O102.603 (10)O1—Pb1xiv2.774 (3)
Pb3—O43.095 (10)O1—Pb1xv2.774 (3)
Pb3—O4xi3.095 (10)O3—Pb2xiii2.842 (5)
Pb3—O4vii3.095 (10)O4—Pb2vii2.679 (14)
Pb3—O4xiii3.095 (10)O4—Pb3ix3.095 (10)
Pb3—Se5xi3.6015 (14)O5—Cu1i2.170 (16)
Pb3—Se5xiii3.6015 (14)O6—Cu2xiii1.950 (7)
Se1—O21.626 (11)O6—Pb2xiii2.690 (7)
Se1—O71.733 (7)O6—Pb1xv2.868 (8)
Se1—O7x1.733 (7)O7—Cu2i1.993 (7)
Se2—O11.681 (9)O7—Cu1i1.995 (7)
Se2—O81.711 (7)O8—Cu3xviii1.957 (7)
Se2—O8x1.711 (7)O8—Pb1xiv2.731 (7)
Se2—Pb1xiv3.4659 (13)O8—Pb1iv2.800 (7)
Se2—Pb1xv3.4659 (13)O9—Cu3xiii1.954 (8)
Se2—Pb1iv3.6078 (18)O9—Pb2xiii2.681 (7)
Se3—O51.611 (16)O9—Pb1xv3.005 (9)
Se3—O9viii1.707 (7)O10—Cu1i1.938 (8)
Se3—O91.707 (7)
O2—Pb1—O8i69.2 (3)O10—Pb3—Se5xi153.6 (2)
O2—Pb1—O8ii69.2 (3)O4—Pb3—Se5xi153.0 (3)
O8i—Pb1—O8ii58.4 (3)O4xi—Pb3—Se5xi27.0 (3)
O2—Pb1—O1i70.86 (19)O4vii—Pb3—Se5xi110.0 (3)
O8i—Pb1—O1i55.4 (2)O4xiii—Pb3—Se5xi70.0 (3)
O8ii—Pb1—O1i110.8 (2)O3xi—Pb3—Se5xiii83.0 (2)
O2—Pb1—O1iii70.86 (19)O3—Pb3—Se5xiii97.0 (2)
O8i—Pb1—O1iii110.8 (2)O10viii—Pb3—Se5xiii26.4 (2)
O8ii—Pb1—O1iii55.4 (2)O10xii—Pb3—Se5xiii153.6 (2)
O1i—Pb1—O1iii141.7 (4)O10xi—Pb3—Se5xiii98.07 (19)
O2—Pb1—O8iv134.7 (3)O10—Pb3—Se5xiii81.93 (19)
O8i—Pb1—O8iv66.0 (2)O4—Pb3—Se5xiii110.0 (3)
O8ii—Pb1—O8iv92.44 (15)O4xi—Pb3—Se5xiii70.0 (3)
O1i—Pb1—O8iv78.6 (2)O4vii—Pb3—Se5xiii153.0 (3)
O1iii—Pb1—O8iv132.2 (2)O4xiii—Pb3—Se5xiii27.0 (3)
O2—Pb1—O8v134.7 (3)Se5xi—Pb3—Se5xiii86.63 (5)
O8i—Pb1—O8v92.44 (15)O2—Se1—O7102.8 (4)
O8ii—Pb1—O8v66.0 (2)O2—Se1—O7x102.8 (4)
O1i—Pb1—O8v132.2 (2)O7—Se1—O7x99.3 (5)
O1iii—Pb1—O8v78.6 (2)O1—Se2—O898.0 (3)
O8iv—Pb1—O8v54.8 (3)O1—Se2—O8x98.0 (3)
O2—Pb1—O6vi80.3 (3)O8—Se2—O8x97.7 (5)
O8i—Pb1—O6vi149.2 (2)O1—Se2—Pb1xiv52.19 (10)
O8ii—Pb1—O6vi114.7 (2)O8—Se2—Pb1xiv50.9 (2)
O1i—Pb1—O6vi111.1 (2)O8x—Se2—Pb1xiv120.5 (2)
O1iii—Pb1—O6vi60.4 (2)O1—Se2—Pb1xv52.19 (10)
O8iv—Pb1—O6vi143.28 (19)O8—Se2—Pb1xv120.5 (2)
O8v—Pb1—O6vi112.7 (2)O8x—Se2—Pb1xv50.9 (2)
O2—Pb1—O6iii80.3 (3)Pb1xiv—Se2—Pb1xv98.23 (5)
O8i—Pb1—O6iii114.7 (2)O1—Se2—Pb1iv98.1 (3)
O8ii—Pb1—O6iii149.2 (2)O8—Se2—Pb1iv49.0 (2)
O1i—Pb1—O6iii60.4 (2)O8x—Se2—Pb1iv49.0 (2)
O1iii—Pb1—O6iii111.1 (2)Pb1xiv—Se2—Pb1iv81.91 (3)
O8iv—Pb1—O6iii112.7 (2)Pb1xv—Se2—Pb1iv81.91 (3)
O8v—Pb1—O6iii143.28 (19)O5—Se3—O9viii102.1 (7)
O6vi—Pb1—O6iii53.8 (3)O5—Se3—O9102.1 (7)
O2—Pb1—O9vi143.4 (2)O9viii—Se3—O999.7 (6)
O8i—Pb1—O9vi145.5 (2)O3—Se4—O6viii98.0 (4)
O8ii—Pb1—O9vi113.6 (2)O3—Se4—O698.0 (4)
O1i—Pb1—O9vi131.9 (2)O6viii—Se4—O698.5 (5)
O1iii—Pb1—O9vi81.2 (2)O3—Se4—Pb2xiii53.20 (16)
O8iv—Pb1—O9vi81.8 (2)O6viii—Se4—Pb2xiii117.7 (2)
O8v—Pb1—O9vi57.2 (2)O6—Se4—Pb2xiii48.2 (2)
O6vi—Pb1—O9vi65.19 (19)O3—Se4—Pb253.20 (16)
O6iii—Pb1—O9vi88.48 (19)O6viii—Se4—Pb248.2 (2)
O2—Pb1—O9iii143.4 (2)O6—Se4—Pb2117.7 (2)
O8i—Pb1—O9iii113.6 (2)Pb2xiii—Se4—Pb296.62 (5)
O8ii—Pb1—O9iii145.5 (2)O4—Se5—O10100.4 (5)
O1i—Pb1—O9iii81.2 (2)O4—Se5—O10x100.4 (5)
O1iii—Pb1—O9iii131.9 (2)O10—Se5—O10x95.3 (7)
O8iv—Pb1—O9iii57.2 (2)O4—Se5—Pb359.0 (3)
O8v—Pb1—O9iii81.8 (2)O10—Se5—Pb342.3 (4)
O6vi—Pb1—O9iii88.48 (19)O10x—Se5—Pb3109.6 (3)
O6iii—Pb1—O9iii65.19 (19)O4—Se5—Pb3ix59.0 (3)
O9vi—Pb1—O9iii51.5 (3)O10—Se5—Pb3ix109.6 (3)
O2—Pb1—Se2i58.98 (13)O10x—Se5—Pb3ix42.3 (4)
O8i—Pb1—Se2i29.09 (15)Pb3—Se5—Pb3ix93.37 (5)
O8ii—Pb1—Se2i82.17 (15)O10xiv—Cu1—O10xvi88.5 (6)
O1i—Pb1—Se2i28.60 (19)O10xiv—Cu1—O7xiv94.6 (3)
O1iii—Pb1—Se2i123.39 (19)O10xvi—Cu1—O7xiv171.4 (4)
O8iv—Pb1—Se2i78.21 (15)O10xiv—Cu1—O7xvi171.4 (4)
O8v—Pb1—Se2i119.44 (14)O10xvi—Cu1—O7xvi94.6 (3)
O6vi—Pb1—Se2i127.48 (15)O7xiv—Cu1—O7xvi81.3 (4)
O6iii—Pb1—Se2i85.66 (14)O10xiv—Cu1—O5xiv96.3 (6)
O9vi—Pb1—Se2i155.10 (14)O10xvi—Cu1—O5xiv96.3 (6)
O9iii—Pb1—Se2i104.50 (14)O7xiv—Cu1—O5xiv91.4 (6)
O4vii—Pb2—O9viii147.5 (2)O7xvi—Cu1—O5xiv91.4 (6)
O4vii—Pb2—O9ix147.5 (2)O10xiv—Cu1—Br294.7 (3)
O9viii—Pb2—O9ix58.7 (3)O10xvi—Cu1—Br294.7 (3)
O4vii—Pb2—O6viii81.5 (4)O7xiv—Cu1—Br277.0 (2)
O9viii—Pb2—O6viii72.2 (2)O7xvi—Cu1—Br277.0 (2)
O9ix—Pb2—O6viii100.2 (2)O5xiv—Cu1—Br2164.7 (7)
O4vii—Pb2—O6ix81.5 (4)O10xiv—Cu1—Cu2132.6 (3)
O9viii—Pb2—O6ix100.2 (2)O10xvi—Cu1—Cu2132.6 (3)
O9ix—Pb2—O6ix72.2 (2)O7xiv—Cu1—Cu241.37 (19)
O6viii—Pb2—O6ix58.9 (3)O7xvi—Cu1—Cu241.4 (2)
O4vii—Pb2—O3ix67.7 (2)O5xiv—Cu1—Cu2100.3 (7)
O9viii—Pb2—O3ix139.1 (3)Br2—Cu1—Cu264.37 (12)
O9ix—Pb2—O3ix81.5 (3)O10xiv—Cu1—Pb3xiv44.3 (3)
O6viii—Pb2—O3ix109.4 (3)O10xvi—Cu1—Pb3xiv44.3 (3)
O6ix—Pb2—O3ix54.9 (3)O7xiv—Cu1—Pb3xiv137.5 (2)
O4vii—Pb2—O367.7 (2)O7xvi—Cu1—Pb3xiv137.5 (2)
O9viii—Pb2—O381.5 (3)O5xiv—Cu1—Pb3xiv101.7 (7)
O9ix—Pb2—O3139.1 (3)Br2—Cu1—Pb3xiv93.66 (13)
O6viii—Pb2—O354.9 (3)Cu2—Cu1—Pb3xiv158.03 (7)
O6ix—Pb2—O3109.4 (3)O6ix—Cu2—O6viii85.4 (4)
O3ix—Pb2—O3134.4 (5)O6ix—Cu2—O7xvi168.0 (3)
O4vii—Pb2—O10x74.8 (4)O6viii—Cu2—O7xvi95.4 (3)
O9viii—Pb2—O10x128.4 (3)O6ix—Cu2—O7xiv95.4 (3)
O9ix—Pb2—O10x101.8 (2)O6viii—Cu2—O7xiv168.0 (3)
O6viii—Pb2—O10x155.9 (2)O7xvi—Cu2—O7xiv81.4 (4)
O6ix—Pb2—O10x119.7 (2)O6ix—Cu2—O184.0 (3)
O3ix—Pb2—O10x64.8 (3)O6viii—Cu2—O184.0 (3)
O3—Pb2—O10x110.9 (3)O7xvi—Cu2—O1107.9 (3)
O4vii—Pb2—O1074.8 (4)O7xiv—Cu2—O1107.9 (3)
O9viii—Pb2—O10101.8 (2)O6ix—Cu2—Cu1132.1 (2)
O9ix—Pb2—O10128.4 (3)O6viii—Cu2—Cu1132.1 (2)
O6viii—Pb2—O10119.7 (2)O7xvi—Cu2—Cu141.4 (2)
O6ix—Pb2—O10155.9 (2)O7xiv—Cu2—Cu141.4 (2)
O3ix—Pb2—O10110.9 (3)O1—Cu2—Cu1122.4 (3)
O3—Pb2—O1064.8 (3)O6ix—Cu2—Pb242.9 (2)
O10x—Pb2—O1050.3 (3)O6viii—Cu2—Pb242.9 (2)
O4vii—Pb2—Se4ix66.1 (2)O7xvi—Cu2—Pb2135.4 (2)
O9viii—Pb2—Se4ix126.22 (17)O7xiv—Cu2—Pb2135.4 (2)
O9ix—Pb2—Se4ix81.85 (18)O1—Cu2—Pb286.2 (2)
O6viii—Pb2—Se4ix81.61 (15)Cu1—Cu2—Pb2151.37 (7)
O6ix—Pb2—Se4ix28.33 (15)O9ix—Cu3—O9viii84.6 (4)
O3ix—Pb2—Se4ix28.1 (2)O9ix—Cu3—O8xvii158.4 (3)
O3—Pb2—Se4ix119.7 (2)O9viii—Cu3—O8xvii90.8 (3)
O10x—Pb2—Se4ix91.93 (18)O9ix—Cu3—O8xviii90.8 (3)
O10—Pb2—Se4ix131.93 (17)O9viii—Cu3—O8xviii158.4 (3)
O4vii—Pb2—Se466.1 (2)O8xvii—Cu3—O8xviii85.8 (4)
O9viii—Pb2—Se481.85 (18)O9ix—Cu3—Br1101.1 (2)
O9ix—Pb2—Se4126.22 (17)O9viii—Cu3—Br1101.1 (2)
O6viii—Pb2—Se428.33 (15)O8xvii—Cu3—Br1100.5 (2)
O6ix—Pb2—Se481.61 (15)O8xviii—Cu3—Br1100.5 (2)
O3ix—Pb2—Se4119.7 (2)O9ix—Cu3—Pb1xv113.0 (2)
O3—Pb2—Se428.1 (2)O9viii—Cu3—Pb1xv55.0 (3)
O10x—Pb2—Se4131.93 (17)O8xvii—Cu3—Pb1xv49.0 (2)
O10—Pb2—Se491.93 (18)O8xviii—Cu3—Pb1xv108.5 (2)
Se4ix—Pb2—Se496.62 (5)Br1—Cu3—Pb1xv134.12 (2)
O4vii—Pb2—Cu3160.3 (4)O9ix—Cu3—Pb1xiv55.0 (3)
O9viii—Pb2—Cu329.76 (16)O9viii—Cu3—Pb1xiv113.0 (2)
O9ix—Pb2—Cu329.76 (16)O8xvii—Cu3—Pb1xiv108.5 (2)
O6viii—Pb2—Cu381.44 (16)O8xviii—Cu3—Pb1xiv49.0 (2)
O6ix—Pb2—Cu381.44 (16)Br1—Cu3—Pb1xiv134.12 (2)
O3ix—Pb2—Cu3109.4 (2)Pb1xv—Cu3—Pb1xiv91.35 (5)
O3—Pb2—Cu3109.4 (2)O9ix—Cu3—Pb242.9 (2)
O10x—Pb2—Cu3122.61 (18)O9viii—Cu3—Pb242.9 (2)
O10—Pb2—Cu3122.61 (18)O8xvii—Cu3—Pb2125.5 (2)
Se4ix—Pb2—Cu3101.73 (3)O8xviii—Cu3—Pb2125.5 (2)
Se4—Pb2—Cu3101.73 (3)Br1—Cu3—Pb2113.17 (5)
O3xi—Pb3—O3180.0Pb1xv—Cu3—Pb277.33 (3)
O3xi—Pb3—O10viii105.1 (3)Pb1xiv—Cu3—Pb277.33 (3)
O3—Pb3—O10viii74.9 (3)Cu3iv—Br1—Cu3180.0
O3xi—Pb3—O10xii74.9 (3)Se2—O1—Cu2124.0 (5)
O3—Pb3—O10xii105.1 (3)Se2—O1—Pb1xiv99.2 (2)
O10viii—Pb3—O10xii180.0 (3)Cu2—O1—Pb1xiv98.5 (2)
O3xi—Pb3—O10xi74.9 (3)Se2—O1—Pb1xv99.2 (2)
O3—Pb3—O10xi105.1 (3)Cu2—O1—Pb1xv98.5 (2)
O10viii—Pb3—O10xi117.4 (4)Pb1xiv—O1—Pb1xv141.7 (4)
O10xii—Pb3—O10xi62.6 (4)Se1—O2—Pb1140.7 (6)
O3xi—Pb3—O10105.1 (3)Se4—O3—Pb3125.5 (7)
O3—Pb3—O1074.9 (3)Se4—O3—Pb2xiii98.7 (3)
O10viii—Pb3—O1062.6 (4)Pb3—O3—Pb2xiii101.7 (2)
O10xii—Pb3—O10117.4 (4)Se4—O3—Pb298.7 (3)
O10xi—Pb3—O10180.0Pb3—O3—Pb2101.7 (2)
O3xi—Pb3—O465.4 (3)Pb2xiii—O3—Pb2134.4 (5)
O3—Pb3—O4114.6 (3)Se5—O4—Pb2vii168.4 (10)
O10viii—Pb3—O4106.1 (3)Se5—O4—Pb393.9 (4)
O10xii—Pb3—O473.9 (3)Pb2vii—O4—Pb392.2 (3)
O10xi—Pb3—O4127.0 (3)Se5—O4—Pb3ix93.9 (4)
O10—Pb3—O453.0 (3)Pb2vii—O4—Pb3ix92.2 (3)
O3xi—Pb3—O4xi114.6 (3)Pb3—O4—Pb3ix115.7 (6)
O3—Pb3—O4xi65.4 (3)Se3—O5—Cu1i178.1 (17)
O10viii—Pb3—O4xi73.9 (3)Se4—O6—Cu2xiii125.0 (4)
O10xii—Pb3—O4xi106.1 (3)Se4—O6—Pb2xiii103.5 (3)
O10xi—Pb3—O4xi53.0 (3)Cu2xiii—O6—Pb2xiii107.5 (3)
O10—Pb3—O4xi127.0 (3)Se4—O6—Pb1xv103.8 (3)
O4—Pb3—O4xi180.0Cu2xiii—O6—Pb1xv104.1 (3)
O3xi—Pb3—O4vii114.6 (3)Pb2xiii—O6—Pb1xv113.0 (2)
O3—Pb3—O4vii65.4 (3)Se1—O7—Cu2i131.6 (4)
O10viii—Pb3—O4vii127.0 (3)Se1—O7—Cu1i118.1 (4)
O10xii—Pb3—O4vii53.0 (3)Cu2i—O7—Cu1i97.2 (3)
O10xi—Pb3—O4vii106.1 (3)Se2—O8—Cu3xviii132.5 (4)
O10—Pb3—O4vii73.9 (3)Se2—O8—Pb1xiv100.0 (3)
O4—Pb3—O4vii64.3 (6)Cu3xviii—O8—Pb1xiv107.9 (3)
O4xi—Pb3—O4vii115.7 (6)Se2—O8—Pb1iv103.6 (3)
O3xi—Pb3—O4xiii65.4 (3)Cu3xviii—O8—Pb1iv99.2 (3)
O3—Pb3—O4xiii114.6 (3)Pb1xiv—O8—Pb1iv114.0 (2)
O10viii—Pb3—O4xiii53.0 (3)Se3—O9—Cu3xiii119.4 (4)
O10xii—Pb3—O4xiii127.0 (3)Se3—O9—Pb2xiii121.9 (4)
O10xi—Pb3—O4xiii73.9 (3)Cu3xiii—O9—Pb2xiii107.3 (3)
O10—Pb3—O4xiii106.1 (3)Se3—O9—Pb1xv101.4 (3)
O4—Pb3—O4xiii115.7 (6)Cu3xiii—O9—Pb1xv92.8 (3)
O4xi—Pb3—O4xiii64.3 (6)Pb2xiii—O9—Pb1xv109.1 (3)
O4vii—Pb3—O4xiii180.0Se5—O10—Cu1i119.5 (5)
O3xi—Pb3—Se5xi97.0 (2)Se5—O10—Pb3111.3 (5)
O3—Pb3—Se5xi83.0 (2)Cu1i—O10—Pb3104.4 (4)
O10viii—Pb3—Se5xi98.07 (19)Se5—O10—Pb2106.6 (4)
O10xii—Pb3—Se5xi81.93 (19)Cu1i—O10—Pb2116.2 (4)
O10xi—Pb3—Se5xi26.4 (2)Pb3—O10—Pb296.3 (3)
Symmetry codes: (i) x+1/2, y1/2, 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, y1, z; (xiv) x1/2, y+1/2, z; (xv) x1/2, y1/2, z; (xvi) x1/2, y+1/2, z; (xvii) x1/2, y1/2, z; (xviii) x1/2, y+3/2, z.
(CuPbOXO1) top
Crystal data top
Br1.75Cu2.50O4Pb0.50SeF(000) = 1926
Mr = 545.25Dx = 5.103 Mg m3
Monoclinic, C2/mMo Kα radiation, λ = 0.71073 Å
a = 19.049 (10) ÅCell parameters from 1494 reflections
b = 6.226 (3) Åθ = 1.7–30.8°
c = 12.726 (7) ŵ = 34.17 mm1
β = 109.843 (12)°T = 296 K
V = 1419.5 (13) Å3Prism
Z = 8
Data collection top
Bruker Apex 2 Duo
diffractometer
θmax = 30.8°, θmin = 1.7°
7541 measured reflectionsh = 2727
2401 independent reflectionsk = 87
1629 reflections with I > 2σ(I)l = 1812
Rint = 0.067
Refinement top
Refinement on F20 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) = 0.071Δρmax = 1.80 e Å3
S = 0.94Δρmin = 2.04 e Å3
2401 reflectionsExtinction correction: SHELXL-2018/3 (Sheldrick 2018), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
114 parametersExtinction coefficient: 0.00017 (3)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pb10.71498 (2)1.0000000.33393 (4)0.01556 (12)
Se10.32474 (6)0.5000000.15617 (8)0.0119 (2)
Se20.59671 (6)1.0000000.73241 (8)0.0117 (2)
Br10.70414 (6)1.0000000.57105 (9)0.0205 (3)
Br20.59980 (7)0.5000000.44869 (10)0.0264 (3)
Br30.5000000.0000000.0000000.0317 (5)
Br40.27772 (7)0.5000000.12952 (11)0.0333 (4)
Cu10.57107 (7)1.0000000.46021 (10)0.0154 (3)
Cu20.54663 (5)0.75625 (16)0.22707 (8)0.0147 (2)
Cu30.5000000.5000000.0000000.0164 (4)
Cu40.40277 (8)0.5000000.13963 (12)0.0202 (3)
Cu50.5000000.5000000.5000000.0502 (8)
O10.5053 (4)0.5000000.1515 (6)0.0125 (16)
O20.5885 (4)1.0000000.3205 (6)0.0149 (17)
O30.5590 (3)0.7894 (9)0.7750 (5)0.0225 (14)
O40.3530 (3)0.2908 (9)0.2176 (4)0.0166 (12)
O50.3909 (4)0.5000000.0276 (6)0.0192 (19)
O60.5410 (4)1.0000000.5942 (6)0.0207 (19)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.0125 (2)0.0185 (3)0.0151 (2)0.0000.00399 (16)0.000
Se10.0094 (5)0.0161 (6)0.0105 (5)0.0000.0038 (4)0.000
Se20.0096 (5)0.0146 (6)0.0114 (5)0.0000.0040 (4)0.000
Br10.0142 (6)0.0302 (8)0.0153 (5)0.0000.0028 (4)0.000
Br20.0268 (7)0.0278 (8)0.0256 (6)0.0000.0104 (5)0.000
Br30.0430 (12)0.0244 (11)0.0296 (10)0.0000.0146 (9)0.000
Br40.0182 (7)0.0501 (10)0.0376 (8)0.0000.0172 (6)0.000
Cu10.0128 (7)0.0249 (9)0.0091 (6)0.0000.0045 (5)0.000
Cu20.0128 (5)0.0149 (6)0.0170 (5)0.0018 (4)0.0057 (4)0.0049 (4)
Cu30.0133 (10)0.0283 (13)0.0080 (9)0.0000.0042 (7)0.000
Cu40.0121 (7)0.0283 (9)0.0220 (7)0.0000.0080 (6)0.000
Cu50.0424 (17)0.056 (2)0.065 (2)0.0000.0344 (15)0.000
O10.012 (4)0.014 (4)0.011 (3)0.0000.003 (3)0.000
O20.017 (4)0.017 (5)0.009 (4)0.0000.002 (3)0.000
O30.021 (3)0.017 (3)0.033 (3)0.000 (3)0.013 (3)0.015 (3)
O40.013 (3)0.019 (3)0.018 (3)0.000 (2)0.005 (2)0.003 (2)
O50.009 (4)0.035 (5)0.013 (4)0.0000.002 (3)0.000
O60.017 (4)0.041 (6)0.009 (4)0.0000.010 (3)0.000
Geometric parameters (Å, º) top
Pb1—O22.358 (8)Br2—Cu1x3.1725 (17)
Pb1—O4i2.417 (5)Br2—Br2xi4.420 (3)
Pb1—O4ii2.417 (5)Br3—Cu3x3.1128 (17)
Pb1—Br13.094 (2)Br3—Cu33.1128 (17)
Pb1—Br4iii3.2101 (19)Br3—Cu2vii3.1142 (17)
Pb1—Cu2iv3.3874 (18)Br3—Cu2xii3.1142 (17)
Pb1—Cu23.3874 (18)Br3—Cu2x3.1142 (17)
Pb1—Br1v3.5015 (16)Br3—Cu2i3.1142 (17)
Pb1—Br1vi3.5015 (16)Br4—Cu42.342 (2)
Pb1—Cu13.618 (2)Br4—Br4xiii4.394 (3)
Pb1—Br2vi3.671 (2)Br4—Br4xiv4.394 (3)
Pb1—Br24.3371 (18)Cu1—O21.915 (7)
Se1—O51.692 (7)Cu1—O61.975 (7)
Se1—O4vii1.697 (5)Cu1—O6xv2.008 (8)
Se1—O41.697 (5)Cu2—O11.891 (4)
Se1—Br1viii3.452 (2)Cu2—O21.926 (4)
Se2—O31.671 (5)Cu2—O4i1.979 (5)
Se2—O3iv1.671 (5)Cu2—O3xvi2.015 (5)
Se2—O61.718 (7)Cu2—Cu2iv3.035 (3)
Se2—Br13.355 (2)Cu2—Cu43.0369 (19)
Br1—Cu12.447 (2)Cu3—O11.896 (7)
Br1—Br23.7367 (17)Cu3—O1i1.896 (7)
Br1—Br2ix3.7368 (17)Cu3—O5i1.987 (7)
Br1—Br2vi3.827 (3)Cu3—O51.987 (7)
Br1—Br1v4.261 (2)Cu3—Cu4i2.9701 (18)
Br1—Br1vi4.261 (2)Cu3—Cu42.9702 (18)
Br2—Cu52.2099 (16)Cu4—O11.907 (7)
Br2—Cu23.0960 (19)Cu4—O52.063 (7)
Br2—Cu2vii3.0960 (19)Cu4—O3xvi2.102 (6)
Br2—Cu13.1725 (17)Cu4—O3xi2.102 (6)
O2—Pb1—O4i68.54 (16)Cu2—Br2—Pb150.94 (3)
O2—Pb1—O4ii68.54 (16)Cu2vii—Br2—Pb196.29 (5)
O4i—Pb1—O4ii97.0 (3)Cu1—Br2—Pb154.99 (4)
O2—Pb1—Br170.46 (17)Cu1x—Br2—Pb1146.58 (4)
O4i—Pb1—Br1113.48 (13)Pb1vi—Br2—Pb177.71 (4)
O4ii—Pb1—Br1113.48 (13)Br1x—Br2—Pb1118.68 (5)
O2—Pb1—Br4iii126.44 (17)Br1—Br2—Pb144.29 (3)
O4i—Pb1—Br4iii76.87 (13)Br1vi—Br2—Pb150.32 (2)
O4ii—Pb1—Br4iii76.87 (13)Pb1x—Br2—Pb191.73 (5)
Br1—Pb1—Br4iii163.10 (4)Cu5—Br2—Br2xi0.001 (1)
O2—Pb1—Cu2iv33.47 (10)Cu2—Br2—Br2xi102.76 (5)
O4i—Pb1—Cu2iv81.52 (13)Cu2vii—Br2—Br2xi102.77 (5)
O4ii—Pb1—Cu2iv35.08 (12)Cu1—Br2—Br2xi78.88 (3)
Br1—Pb1—Cu2iv91.38 (3)Cu1x—Br2—Br2xi78.88 (3)
Br4iii—Pb1—Cu2iv103.70 (4)Pb1vi—Br2—Br2xi118.72 (6)
O2—Pb1—Cu233.47 (10)Br1x—Br2—Br2xi105.43 (4)
O4i—Pb1—Cu235.08 (12)Br1—Br2—Br2xi105.43 (4)
O4ii—Pb1—Cu281.52 (13)Br1vi—Br2—Br2xi167.40 (5)
Br1—Pb1—Cu291.38 (3)Pb1x—Br2—Br2xi133.14 (2)
Br4iii—Pb1—Cu2103.70 (4)Pb1—Br2—Br2xi133.14 (2)
Cu2iv—Pb1—Cu253.23 (5)Cu3x—Br3—Cu3180.0
O2—Pb1—Br1v110.13 (6)Cu3x—Br3—Cu2vii119.16 (3)
O4i—Pb1—Br1v163.45 (13)Cu3—Br3—Cu2vii60.84 (3)
O4ii—Pb1—Br1v68.11 (13)Cu3x—Br3—Cu2xii60.84 (3)
Br1—Pb1—Br1v80.23 (3)Cu3—Br3—Cu2xii119.16 (3)
Br4iii—Pb1—Br1v92.21 (3)Cu2vii—Br3—Cu2xii180.00 (2)
Cu2iv—Pb1—Br1v89.20 (4)Cu3x—Br3—Cu2x60.84 (3)
Cu2—Pb1—Br1v141.49 (3)Cu3—Br3—Cu2x119.16 (3)
O2—Pb1—Br1vi110.13 (6)Cu2vii—Br3—Cu2x58.32 (5)
O4i—Pb1—Br1vi68.11 (13)Cu2xii—Br3—Cu2x121.68 (5)
O4ii—Pb1—Br1vi163.45 (13)Cu3x—Br3—Cu2i119.16 (3)
Br1—Pb1—Br1vi80.23 (3)Cu3—Br3—Cu2i60.84 (3)
Br4iii—Pb1—Br1vi92.21 (3)Cu2vii—Br3—Cu2i121.68 (5)
Cu2iv—Pb1—Br1vi141.49 (3)Cu2xii—Br3—Cu2i58.32 (5)
Cu2—Pb1—Br1vi89.20 (4)Cu2x—Br3—Cu2i180.0
Br1v—Pb1—Br1vi125.49 (5)Cu4—Br4—Pb1xviii127.38 (6)
O2—Pb1—Cu128.60 (17)Cu4—Br4—Br4xiii91.27 (5)
O4i—Pb1—Cu186.75 (12)Pb1xviii—Br4—Br4xiii123.17 (4)
O4ii—Pb1—Cu186.75 (12)Cu4—Br4—Br4xiv91.27 (5)
Br1—Pb1—Cu141.86 (3)Pb1xviii—Br4—Br4xiv123.17 (4)
Br4iii—Pb1—Cu1155.04 (3)Br4xiii—Br4—Br4xiv90.21 (7)
Cu2iv—Pb1—Cu154.66 (4)O2—Cu1—O6173.5 (3)
Cu2—Pb1—Cu154.66 (4)O2—Cu1—O6xv100.3 (3)
Br1v—Pb1—Cu199.06 (3)O6—Cu1—O6xv73.3 (3)
Br1vi—Pb1—Cu199.06 (3)O2—Cu1—Br193.6 (2)
O2—Pb1—Br2vi138.76 (17)O6—Cu1—Br192.9 (2)
O4i—Pb1—Br2vi129.75 (12)O6xv—Cu1—Br1166.1 (2)
O4ii—Pb1—Br2vi129.75 (12)O2—Cu1—Br2ix82.54 (5)
Br1—Pb1—Br2vi68.30 (4)O6—Cu1—Br2ix98.34 (4)
Br4iii—Pb1—Br2vi94.80 (5)O6xv—Cu1—Br2ix99.43 (4)
Cu2iv—Pb1—Br2vi147.06 (3)Br1—Cu1—Br2ix82.27 (3)
Cu2—Pb1—Br2vi147.06 (3)O2—Cu1—Br282.54 (5)
Br1v—Pb1—Br2vi62.75 (2)O6—Cu1—Br298.34 (4)
Br1vi—Pb1—Br2vi62.75 (2)O6xv—Cu1—Br299.43 (4)
Cu1—Pb1—Br2vi110.16 (5)Br1—Cu1—Br282.27 (3)
O2—Pb1—Br253.33 (8)Br2ix—Cu1—Br2157.73 (7)
O4i—Pb1—Br256.08 (13)O2—Cu1—Pb136.1 (2)
O4ii—Pb1—Br2121.12 (13)O6—Cu1—Pb1150.4 (2)
Br1—Pb1—Br257.50 (2)O6xv—Cu1—Pb1136.4 (2)
Br4iii—Pb1—Br2130.01 (2)Br1—Cu1—Pb157.53 (5)
Cu2iv—Pb1—Br286.48 (4)Br2ix—Cu1—Pb179.10 (3)
Cu2—Pb1—Br245.21 (3)Br2—Cu1—Pb179.10 (3)
Br1v—Pb1—Br2137.33 (4)O1—Cu2—O2172.9 (3)
Br1vi—Pb1—Br257.27 (4)O1—Cu2—O4i95.1 (3)
Cu1—Pb1—Br245.91 (2)O2—Cu2—O4i87.0 (3)
Br2vi—Pb1—Br2102.29 (4)O1—Cu2—O3xvi80.7 (3)
O5—Se1—O4vii101.4 (2)O2—Cu2—O3xvi97.4 (3)
O5—Se1—O4101.4 (2)O4i—Cu2—O3xvi175.2 (2)
O4vii—Se1—O4100.2 (4)O1—Cu2—Cu2iv147.53 (17)
O5—Se1—Br1viii174.3 (3)O2—Cu2—Cu2iv38.00 (16)
O4vii—Se1—Br1viii75.15 (17)O4i—Cu2—Cu2iv98.50 (16)
O4—Se1—Br1viii75.15 (17)O3xvi—Cu2—Cu2iv84.12 (17)
O3—Se2—O3iv103.4 (4)O1—Cu2—Cu437.1 (2)
O3—Se2—O698.5 (2)O2—Cu2—Cu4140.6 (2)
O3iv—Se2—O698.5 (2)O4i—Cu2—Cu4132.12 (16)
O3—Se2—Br1128.1 (2)O3xvi—Cu2—Cu443.59 (16)
O3iv—Se2—Br1128.1 (2)Cu2iv—Cu2—Cu4121.69 (3)
O6—Se2—Br170.6 (2)O1—Cu2—Br288.82 (19)
Cu1—Br1—Pb180.61 (5)O2—Cu2—Br284.53 (17)
Cu1—Br1—Se267.98 (6)O4i—Cu2—Br287.44 (16)
Pb1—Br1—Se2148.59 (4)O3xvi—Cu2—Br294.65 (18)
Cu1—Br1—Se1xvii141.75 (6)Cu2iv—Cu2—Br2121.02 (3)
Pb1—Br1—Se1xvii137.64 (5)Cu4—Cu2—Br292.21 (5)
Se2—Br1—Se1xvii73.77 (5)O1—Cu2—Br3ix90.06 (19)
Cu1—Br1—Pb1v116.57 (2)O2—Cu2—Br3ix96.72 (17)
Pb1—Br1—Pb1v99.77 (3)O4i—Cu2—Br3ix89.57 (15)
Se2—Br1—Pb1v94.41 (3)O3xvi—Cu2—Br3ix88.22 (18)
Se1xvii—Br1—Pb1v65.67 (2)Cu2iv—Cu2—Br3ix60.84 (3)
Cu1—Br1—Pb1vi116.57 (2)Cu4—Cu2—Br3ix88.76 (4)
Pb1—Br1—Pb1vi99.77 (3)Br2—Cu2—Br3ix176.71 (4)
Se2—Br1—Pb1vi94.41 (3)O1—Cu2—Pb1139.1 (2)
Se1xvii—Br1—Pb1vi65.67 (2)O2—Cu2—Pb142.5 (2)
Pb1v—Br1—Pb1vi125.49 (5)O4i—Cu2—Pb144.59 (15)
Cu1—Br1—Br257.28 (3)O3xvi—Cu2—Pb1139.89 (16)
Pb1—Br1—Br278.21 (3)Cu2iv—Cu2—Pb163.39 (2)
Se2—Br1—Br284.63 (4)Cu4—Cu2—Pb1174.84 (4)
Se1xvii—Br1—Br2119.83 (3)Br2—Cu2—Pb183.84 (4)
Pb1v—Br1—Br2173.66 (3)Br3ix—Cu2—Pb195.00 (3)
Pb1vi—Br1—Br260.85 (4)O1—Cu3—O1i180.0
Cu1—Br1—Br2ix57.27 (3)O1—Cu3—O5i97.4 (3)
Pb1—Br1—Br2ix78.21 (3)O1i—Cu3—O5i82.6 (3)
Se2—Br1—Br2ix84.63 (4)O1—Cu3—O582.6 (3)
Se1xvii—Br1—Br2ix119.83 (3)O1i—Cu3—O597.4 (3)
Pb1v—Br1—Br2ix60.85 (4)O5i—Cu3—O5180.0
Pb1vi—Br1—Br2ix173.66 (3)O1—Cu3—Cu4i141.2 (2)
Br2—Br1—Br2ix112.82 (5)O1i—Cu3—Cu4i38.8 (2)
Cu1—Br1—Br2vi143.63 (6)O5i—Cu3—Cu4i43.8 (2)
Pb1—Br1—Br2vi63.02 (3)O5—Cu3—Cu4i136.2 (2)
Se2—Br1—Br2vi148.39 (5)O1—Cu3—Cu438.8 (2)
Se1xvii—Br1—Br2vi74.62 (5)O1i—Cu3—Cu4141.2 (2)
Pb1v—Br1—Br2vi72.41 (3)O5i—Cu3—Cu4136.2 (2)
Pb1vi—Br1—Br2vi72.41 (3)O5—Cu3—Cu443.8 (2)
Br2—Br1—Br2vi111.44 (3)Cu4i—Cu3—Cu4180.0
Br2ix—Br1—Br2vi111.44 (3)O1—Cu3—Br390.0
Cu1—Br1—Br1v104.42 (5)O1i—Cu3—Br390.0
Pb1—Br1—Br1v54.08 (3)O5i—Cu3—Br390.0
Se2—Br1—Br1v133.07 (3)O5—Cu3—Br390.0
Se1xvii—Br1—Br1v101.42 (4)Cu4i—Cu3—Br390.0
Pb1v—Br1—Br1v45.69 (3)Cu4—Cu3—Br390.0
Pb1vi—Br1—Br1v126.89 (5)O1—Cu3—Br3ix90.0
Br2—Br1—Br1v131.94 (5)O1i—Cu3—Br3ix90.0
Br2ix—Br1—Br1v56.72 (4)O5i—Cu3—Br3ix90.0
Br2vi—Br1—Br1v54.71 (3)O5—Cu3—Br3ix90.0
Cu1—Br1—Br1vi104.42 (5)Cu4i—Cu3—Br3ix90.0
Pb1—Br1—Br1vi54.08 (3)Cu4—Cu3—Br3ix90.0
Se2—Br1—Br1vi133.07 (3)Br3—Cu3—Br3ix180.0
Se1xvii—Br1—Br1vi101.42 (5)O1—Cu4—O580.4 (3)
Pb1v—Br1—Br1vi126.89 (5)O1—Cu4—O3xvi78.08 (18)
Pb1vi—Br1—Br1vi45.69 (3)O5—Cu4—O3xvi115.53 (18)
Br2—Br1—Br1vi56.72 (4)O1—Cu4—O3xi78.08 (18)
Br2ix—Br1—Br1vi131.94 (5)O5—Cu4—O3xi115.53 (18)
Br2vi—Br1—Br1vi54.71 (3)O3xvi—Cu4—O3xi118.0 (3)
Br1v—Br1—Br1vi93.86 (6)O1—Cu4—Br4178.7 (2)
Cu5—Br2—Cu2102.76 (5)O5—Cu4—Br4100.9 (2)
Cu5—Br2—Cu2vii102.76 (5)O3xvi—Cu4—Br4101.28 (15)
Cu2—Br2—Cu2vii62.03 (6)O3xi—Cu4—Br4101.28 (15)
Cu5—Br2—Cu178.88 (3)O1—Cu4—Cu338.5 (2)
Cu2—Br2—Cu161.86 (4)O5—Cu4—Cu341.9 (2)
Cu2vii—Br2—Cu1122.65 (5)O3xvi—Cu4—Cu397.62 (16)
Cu5—Br2—Cu1x78.88 (3)O3xi—Cu4—Cu397.62 (16)
Cu2—Br2—Cu1x122.64 (5)Br4—Cu4—Cu3142.79 (7)
Cu2vii—Br2—Cu1x61.85 (4)O1—Cu4—Cu236.72 (10)
Cu1—Br2—Cu1x157.72 (7)O5—Cu4—Cu298.49 (18)
Cu5—Br2—Pb1vi118.72 (6)O3xvi—Cu4—Cu241.37 (15)
Cu2—Br2—Pb1vi128.32 (4)O3xi—Cu4—Cu298.62 (16)
Cu2vii—Br2—Pb1vi128.32 (4)Br4—Cu4—Cu2142.63 (5)
Cu1—Br2—Pb1vi95.85 (3)Cu3—Cu4—Cu263.31 (4)
Cu1x—Br2—Pb1vi95.85 (3)O1—Cu4—Cu2vii36.72 (10)
Cu5—Br2—Br1x105.43 (4)O5—Cu4—Cu2vii98.49 (18)
Cu2—Br2—Br1x140.54 (4)O3xvi—Cu4—Cu2vii98.62 (16)
Cu2vii—Br2—Br1x85.04 (4)O3xi—Cu4—Cu2vii41.37 (15)
Cu1—Br2—Br1x150.90 (5)Br4—Cu4—Cu2vii142.63 (5)
Cu1x—Br2—Br1x40.46 (4)Cu3—Cu4—Cu2vii63.31 (4)
Pb1vi—Br2—Br1x56.41 (3)Cu2—Cu4—Cu2vii63.38 (6)
Cu5—Br2—Br1105.43 (4)Br2xi—Cu5—Br2180.0
Cu2—Br2—Br185.05 (4)Cu2—O1—Cu2vii115.1 (3)
Cu2vii—Br2—Br1140.54 (4)Cu2—O1—Cu3112.7 (2)
Cu1—Br2—Br140.46 (4)Cu2vii—O1—Cu3112.7 (2)
Cu1x—Br2—Br1150.90 (5)Cu2—O1—Cu4106.2 (3)
Pb1vi—Br2—Br156.41 (3)Cu2vii—O1—Cu4106.2 (3)
Br1x—Br2—Br1112.82 (5)Cu3—O1—Cu4102.7 (3)
Cu5—Br2—Br1vi167.40 (5)Cu1—O2—Cu2iv114.0 (3)
Cu2—Br2—Br1vi87.99 (4)Cu1—O2—Cu2114.0 (3)
Cu2vii—Br2—Br1vi87.99 (4)Cu2iv—O2—Cu2104.0 (3)
Cu1—Br2—Br1vi100.98 (3)Cu1—O2—Pb1115.3 (3)
Cu1x—Br2—Br1vi100.98 (3)Cu2iv—O2—Pb1104.1 (3)
Pb1vi—Br2—Br1vi48.68 (4)Cu2—O2—Pb1104.1 (3)
Br1x—Br2—Br1vi68.56 (3)Se2—O3—Cu2xvi127.8 (3)
Br1—Br2—Br1vi68.56 (3)Se2—O3—Cu4xi136.8 (3)
Cu5—Br2—Pb1x133.14 (2)Cu2xvi—O3—Cu4xi95.0 (2)
Cu2—Br2—Pb1x96.29 (5)Se1—O4—Cu2i127.2 (3)
Cu2vii—Br2—Pb1x50.94 (3)Se1—O4—Pb1i132.0 (3)
Cu1—Br2—Pb1x146.58 (4)Cu2i—O4—Pb1i100.3 (2)
Cu1x—Br2—Pb1x54.99 (4)Se1—O5—Cu3124.2 (4)
Pb1vi—Br2—Pb1x77.71 (4)Se1—O5—Cu4141.5 (4)
Br1x—Br2—Pb1x44.29 (3)Cu3—O5—Cu494.3 (3)
Br1—Br2—Pb1x118.68 (5)Se2—O6—Cu1128.6 (4)
Br1vi—Br2—Pb1x50.32 (2)Se2—O6—Cu1xv124.7 (4)
Cu5—Br2—Pb1133.14 (2)Cu1—O6—Cu1xv106.7 (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) x1/2, y1/2, z1; (ix) x, y+1, z; (x) x, y1, z; (xi) x+1, y+1, z+1; (xii) x+1, y1, 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) x1/2, y1/2, z.
(CuPbOXO2) top
Crystal data top
Br1.17Cu1.92O3Pb0.25Se0.75F(000) = 2671
Mr = 375.23Dx = 4.866 Mg m3
Monoclinic, C2/mMo Kα radiation, λ = 0.71073 Å
a = 19.146 (5) ÅCell parameters from 2300 reflections
b = 6.2686 (18) Åθ = 2.2–28.0°
c = 17.296 (5) ŵ = 30.56 mm1
β = 99.270 (7)°T = 296 K
V = 2048.7 (10) Å3Prism
Z = 16
Data collection top
Bruker Apex 2 Duo
diffractometer
θmax = 28.0°, θmin = 2.2°
8910 measured reflectionsh = 2525
2683 independent reflectionsk = 58
2143 reflections with I > 2σ(I)l = 2222
Rint = 0.046
Refinement top
Refinement on F20 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) = 0.063Δρmax = 3.11 e Å3
S = 1.06Δρmin = 1.75 e Å3
2683 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
174 parametersExtinction coefficient: 0.000032 (16)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Pb10.00157 (2)0.00000.20810 (2)0.01048 (10)
Se10.03402 (5)0.50000.33955 (5)0.0081 (2)
Se20.22614 (5)0.50000.29428 (6)0.0086 (2)
Se30.10201 (5)0.00000.00694 (6)0.0089 (2)
Br10.19101 (5)0.50000.52006 (6)0.0169 (2)
Br20.35666 (5)0.50000.33619 (6)0.0156 (2)
Br30.05028 (5)0.50000.13761 (7)0.0209 (2)
Br40.17479 (6)0.50000.16059 (6)0.0193 (2)
Cu10.23210 (6)0.50000.34696 (7)0.0114 (3)
Cu20.08036 (6)0.50000.46662 (7)0.0192 (3)
Cu30.32076 (6)0.50000.14988 (7)0.0113 (3)
Cu40.11735 (4)0.24737 (10)0.30549 (5)0.01011 (18)
Cu50.16051 (6)0.50000.09476 (7)0.0151 (3)
Cu60.25000.25000.00000.0124 (3)
Br5A0.08625 (12)0.00000.45461 (12)0.0124 (4)0.6
Br5B0.0651 (7)0.00000.4759 (8)0.011 (3)*0.1
Cu70.17933 (16)0.0851 (4)0.52093 (17)0.0333 (7)0.35
O10.1102 (3)0.00000.2433 (4)0.0074 (13)
O20.2501 (3)0.50000.0598 (4)0.0106 (14)
O30.1291 (3)0.50000.3633 (4)0.0087 (13)
O40.2322 (3)0.50000.1981 (4)0.0134 (14)
O50.0156 (3)0.50000.4342 (4)0.0135 (14)
O60.0159 (2)0.2893 (6)0.3014 (3)0.0114 (10)
O70.0970 (3)0.00000.0916 (4)0.0122 (14)
O80.2827 (2)0.2978 (6)0.3270 (3)0.0130 (10)
O90.1565 (2)0.2090 (7)0.0333 (3)0.0159 (11)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.0100 (2)0.01105 (14)0.0112 (2)0.0000.00444 (15)0.000
Se10.0069 (5)0.0103 (3)0.0069 (5)0.0000.0008 (4)0.000
Se20.0087 (5)0.0068 (3)0.0111 (5)0.0000.0042 (4)0.000
Se30.0077 (5)0.0099 (3)0.0098 (5)0.0000.0033 (4)0.000
Br10.0099 (5)0.0301 (5)0.0107 (5)0.0000.0019 (4)0.000
Br20.0080 (5)0.0165 (4)0.0210 (6)0.0000.0013 (4)0.000
Br30.0142 (6)0.0260 (5)0.0256 (6)0.0000.0124 (5)0.000
Br40.0254 (6)0.0157 (4)0.0158 (6)0.0000.0006 (5)0.000
Cu10.0075 (6)0.0063 (4)0.0202 (7)0.0000.0010 (5)0.000
Cu20.0061 (7)0.0452 (7)0.0058 (7)0.0000.0002 (5)0.000
Cu30.0091 (6)0.0159 (5)0.0092 (6)0.0000.0025 (5)0.000
Cu40.0093 (4)0.0084 (3)0.0132 (5)0.0004 (3)0.0035 (3)0.0031 (3)
Cu50.0109 (7)0.0199 (5)0.0163 (7)0.0000.0072 (5)0.000
Cu60.0108 (7)0.0116 (5)0.0157 (7)0.0028 (4)0.0051 (5)0.0051 (5)
Br5A0.0164 (12)0.0187 (8)0.0010 (10)0.0000.0012 (8)0.000
Cu70.0440 (19)0.0357 (13)0.0219 (16)0.0125 (13)0.0103 (14)0.0033 (12)
O10.006 (3)0.009 (2)0.009 (4)0.0000.005 (3)0.000
O20.010 (4)0.013 (3)0.010 (4)0.0000.004 (3)0.000
O30.009 (3)0.012 (3)0.005 (3)0.0000.000 (3)0.000
O40.009 (4)0.025 (3)0.006 (4)0.0000.004 (3)0.000
O50.010 (4)0.023 (3)0.007 (4)0.0000.000 (3)0.000
O60.009 (2)0.0127 (18)0.012 (3)0.0009 (17)0.001 (2)0.0025 (19)
O70.004 (3)0.020 (3)0.013 (4)0.0000.003 (3)0.000
O80.010 (3)0.0056 (17)0.025 (3)0.0008 (17)0.007 (2)0.0023 (19)
O90.013 (3)0.0141 (19)0.022 (3)0.0025 (18)0.009 (2)0.004 (2)
Geometric parameters (Å, º) top
Pb1—O12.259 (6)Cu3—Cu4iii3.1663 (14)
Pb1—O62.472 (4)Cu3—Se3iii3.2917 (16)
Pb1—O6i2.472 (4)Cu4—O11.905 (4)
Pb1—O72.493 (6)Cu4—O31.906 (4)
Pb1—Br2ii3.2597 (12)Cu4—O61.973 (4)
Pb1—Cu43.3702 (10)Cu4—O8iii2.027 (4)
Pb1—Cu4i3.3702 (10)Cu4—Br5A2.986 (2)
Pb1—Cu3iii3.3885 (15)Cu4—Cu4i3.1014 (16)
Pb1—Br3iv3.5617 (10)Cu4—Cu3iii3.1662 (14)
Pb1—Br3v3.5617 (10)Cu4—Cu4vi3.1672 (16)
Se1—O6vi1.700 (4)Cu5—O21.908 (6)
Se1—O61.700 (4)Cu5—O42.070 (7)
Se1—O51.729 (7)Cu5—O92.106 (4)
Se1—O33.215 (6)Cu5—O9vi2.106 (4)
Se1—Cu43.2716 (13)Cu5—Cu6ix2.9971 (11)
Se1—Cu4vi3.2716 (13)Cu5—Cu62.9971 (11)
Se1—Cu2vii3.3269 (18)Cu5—Se3xx3.5830 (11)
Se1—Cu23.3431 (17)Cu5—Br4viii4.4617 (14)
Se1—Br1vii3.5467 (15)Cu6—O2iii1.878 (4)
Se1—Br3iv3.5564 (17)Cu6—O21.878 (4)
Se2—O41.687 (7)Cu6—O9iii1.983 (5)
Se2—O81.704 (4)Cu6—O91.983 (5)
Se2—O8vi1.704 (4)Cu6—Cu5iii2.9971 (11)
Se2—Cu33.3132 (16)Cu6—Cu6xi3.1343 (9)
Se2—Cu1viii3.3254 (10)Cu6—Cu6ix3.1343 (9)
Se2—Cu1iii3.3254 (10)Cu6—Cu3iii3.1432 (12)
Se2—Cu4ix3.3518 (13)Cu6—Se3iii3.2569 (11)
Se2—Cu4iii3.3518 (13)Br5A—Br5B0.501 (12)
Se2—Br1x3.3852 (17)Br5A—Cu72.331 (4)
Se2—O1iii3.389 (6)Br5A—Cu7i2.331 (4)
Se2—Cu53.4772 (18)Br5A—Br5Bxxi2.953 (13)
Se2—Br2iii3.6376 (11)Br5A—Cu4i2.986 (2)
Se3—O91.691 (4)Br5A—Cu2xii3.1420 (9)
Se3—O9i1.691 (4)Br5A—O8iii3.315 (5)
Se3—O71.692 (7)Br5A—O8xi3.315 (5)
Se3—O2iii3.226 (6)Br5A—Br5Axxi3.421 (5)
Se3—Cu63.2569 (11)Br5A—O3xii3.546 (3)
Se3—Cu6xi3.2569 (11)Br5B—Cu72.495 (14)
Se3—Cu3iii3.2917 (16)Br5B—Cu7i2.495 (14)
Se3—Cu5xii3.5829 (11)Br5B—Br5Bxxi2.50 (3)
Se3—Cu53.5830 (11)Br5B—Br5Axxi2.953 (13)
Br1—Cu22.4441 (16)Br5B—Cu2xii3.1495 (15)
Br1—Cu7xiii2.526 (3)Br5B—Cu4i3.338 (12)
Br1—Cu7xiv2.526 (3)Br5B—O5xxi3.559 (7)
Br1—Cu7vi2.610 (3)Br5B—O5vii3.559 (7)
Br1—Cu72.610 (3)Br5B—O5xii3.618 (8)
Br1—Cu12.9706 (18)Cu7—Cu7i1.067 (5)
Br1—O33.129 (6)Cu7—Br2xiv2.513 (3)
Br1—O5vii3.323 (7)Cu7—Br1xiv2.526 (3)
Br1—Se2xv3.3852 (17)Cu7—Cu1xiv3.103 (3)
Br1—Se1vii3.5467 (15)Cu7—Cu7xiv3.390 (6)
Br1—O8xv3.631 (5)Cu7—O8iii3.397 (6)
Br1—O8xvi3.631 (5)Cu7—Br1xii3.674 (3)
Br2—Cu12.3619 (16)Cu7—O8xi3.774 (6)
Br2—Cu7xiv2.513 (3)O1—Cu4i1.905 (4)
Br2—Cu7xiii2.513 (3)O1—Cu3iii1.915 (6)
Br2—Pb1xvii3.2597 (12)O1—O62.641 (6)
Br2—O8iii3.281 (4)O1—O6i2.641 (6)
Br2—O8ix3.281 (4)O1—O72.675 (9)
Br2—O6xvii3.515 (4)O1—O8iii2.977 (7)
Br2—O6xviii3.515 (4)O1—O8xi2.977 (7)
Br2—Se2iii3.6376 (11)O1—O4iii2.993 (9)
Br2—Se2viii3.6376 (11)O1—Se2iii3.389 (6)
Br2—Br5Bxiv3.792 (15)O2—Cu6ix1.878 (4)
Br2—Br5Axiv3.945 (2)O2—O42.469 (9)
Br3—Cu52.3467 (17)O2—O9vi2.546 (6)
Br3—O93.450 (5)O2—O92.546 (6)
Br3—O9vi3.450 (5)O2—O7iii2.890 (9)
Br3—O43.471 (7)O2—O9ix2.905 (7)
Br3—O6iv3.540 (5)O2—O9iii2.905 (7)
Br3—O6xix3.540 (5)O2—Se3iii3.226 (6)
Br3—Se1iv3.5564 (17)O2—O2iii3.756 (7)
Br3—Pb1iv3.5617 (10)O3—Cu4vi1.906 (4)
Br3—Pb1v3.5617 (10)O3—O8ix2.527 (6)
Br3—O7v4.206 (4)O3—O8iii2.527 (6)
Br3—O7iv4.206 (4)O3—O52.844 (9)
Br3—O24.254 (6)O3—O6vi2.887 (7)
Br4—Cu43.0183 (13)O3—O62.887 (7)
Br4—Cu4vi3.0183 (13)O4—O82.611 (7)
Br4—Cu3viii3.1401 (9)O4—O8vi2.611 (7)
Br4—Cu3iii3.1401 (9)O4—O1iii2.993 (9)
Br4—Cu6ix3.3100 (11)O4—O93.495 (7)
Br4—Cu63.3100 (11)O4—O9vi3.495 (7)
Br4—O33.474 (6)O4—Cu4ix3.526 (6)
Br4—Cu13.5684 (18)O4—Cu4iii3.526 (6)
Br4—O13.582 (3)O5—Cu2vii1.947 (6)
Br4—O1xx3.582 (3)O5—O5vii2.444 (13)
Br4—O8iii3.631 (5)O5—O6vi2.634 (7)
Br4—O8ix3.631 (5)O5—O62.634 (7)
Cu1—O8ix1.928 (4)O5—Br1vii3.323 (7)
Cu1—O8iii1.928 (4)O5—Cu4vi3.482 (6)
Cu1—O31.947 (6)O5—Br5Bxxi3.559 (7)
Cu1—Cu4vi2.8908 (13)O5—Br5Bvii3.559 (7)
Cu1—Cu42.8908 (13)O6—O6vi2.641 (8)
Cu1—Cu7xiv3.103 (3)O6—Cu4vi3.501 (4)
Cu1—Cu7xiii3.103 (3)O6—Br2ii3.515 (4)
Cu1—Cu23.2844 (18)O6—Br3iv3.540 (5)
Cu1—Se2viii3.3254 (10)O6—O6i3.627 (8)
Cu1—Se2iii3.3254 (10)O7—Cu3iii2.001 (6)
Cu2—O31.878 (6)O7—O92.625 (7)
Cu2—O5vii1.947 (6)O7—O9i2.625 (7)
Cu2—O52.006 (7)O7—O2iii2.890 (9)
Cu2—Cu2vii3.108 (3)O7—Cu6xi3.471 (6)
Cu2—Br5A3.1420 (9)O7—Br4xii3.746 (4)
Cu2—Br5Axx3.1420 (9)O7—O4iii4.003 (9)
Cu2—Br5B3.1495 (16)O8—Cu1iii1.928 (4)
Cu2—Br5Bxx3.1495 (15)O8—Cu4iii2.027 (4)
Cu2—Cu4vi3.1844 (15)O8—O3iii2.528 (6)
Cu2—Cu43.1845 (15)O8—O8vi2.536 (8)
Cu3—O21.891 (7)O8—O1iii2.977 (7)
Cu3—O1iii1.915 (6)O8—Br2iii3.281 (4)
Cu3—O7iii2.001 (6)O8—Br5Aiii3.315 (5)
Cu3—O42.007 (6)O8—Cu7iii3.397 (6)
Cu3—Cu53.0625 (18)O8—Cu4ix3.460 (4)
Cu3—Br4viii3.1401 (9)O9—O9i2.620 (8)
Cu3—Br4iii3.1401 (9)O9—O2iii2.905 (7)
Cu3—Cu63.1432 (12)O9—Cu6xi3.485 (4)
Cu3—Cu6ix3.1432 (12)O9—Cu3iii3.520 (5)
Cu3—Cu4ix3.1663 (14)O9—O9vi3.648 (8)
O1—Pb1—O667.70 (14)O2iii—Cu6—Cu3146.37 (18)
O1—Pb1—O6i67.70 (14)O2—Cu6—Cu333.63 (18)
O6—Pb1—O6i94.4 (2)O9iii—Cu6—Cu383.44 (14)
O1—Pb1—O768.3 (2)O9—Cu6—Cu396.56 (14)
O6—Pb1—O7112.56 (13)Cu5—Cu6—Cu359.78 (3)
O6i—Pb1—O7112.56 (13)Cu5iii—Cu6—Cu3120.22 (3)
O1—Pb1—Br2ii122.46 (16)Cu6xi—Cu6—Cu3119.906 (14)
O6—Pb1—Br2ii74.22 (10)Cu6ix—Cu6—Cu360.094 (14)
O6i—Pb1—Br2ii74.22 (10)Cu3iii—Cu6—Cu3180.0
O7—Pb1—Br2ii169.22 (15)O2iii—Cu6—Se3iii107.74 (19)
O1—Pb1—Cu432.57 (8)O2—Cu6—Se3iii72.26 (19)
O6—Pb1—Cu435.42 (10)O9iii—Cu6—Se3iii25.29 (12)
O6i—Pb1—Cu481.96 (10)O9—Cu6—Se3iii154.71 (12)
O7—Pb1—Cu487.04 (13)Cu5—Cu6—Se3iii110.23 (3)
Br2ii—Pb1—Cu4102.51 (3)Cu5iii—Cu6—Se3iii69.76 (3)
O1—Pb1—Cu4i32.57 (8)Cu6xi—Cu6—Se3iii118.762 (12)
O6—Pb1—Cu4i81.96 (10)Cu6ix—Cu6—Se3iii61.238 (12)
O6i—Pb1—Cu4i35.42 (10)Cu3iii—Cu6—Se3iii118.13 (3)
O7—Pb1—Cu4i87.04 (13)Cu3—Cu6—Se3iii61.87 (3)
Br2ii—Pb1—Cu4i102.51 (3)O2iii—Cu6—Se372.26 (19)
Cu4—Pb1—Cu4i54.79 (3)O2—Cu6—Se3107.74 (19)
O1—Pb1—Cu3iii32.47 (16)O9iii—Cu6—Se3154.71 (12)
O6—Pb1—Cu3iii88.99 (10)O9—Cu6—Se325.29 (12)
O6i—Pb1—Cu3iii88.99 (10)Cu5—Cu6—Se369.76 (3)
O7—Pb1—Cu3iii35.86 (15)Cu5iii—Cu6—Se3110.24 (3)
Br2ii—Pb1—Cu3iii154.93 (3)Cu6xi—Cu6—Se361.238 (12)
Cu4—Pb1—Cu3iii55.87 (3)Cu6ix—Cu6—Se3118.762 (12)
Cu4i—Pb1—Cu3iii55.87 (3)Cu3iii—Cu6—Se361.87 (3)
O1—Pb1—Br3iv114.31 (5)Cu3—Cu6—Se3118.13 (3)
O6—Pb1—Br3iv69.16 (10)Se3iii—Cu6—Se3180.0
O6i—Pb1—Br3iv159.29 (10)Br5B—Br5A—Cu7103.3 (18)
O7—Pb1—Br3iv86.09 (7)Br5B—Br5A—Cu7i103.3 (18)
Br2ii—Pb1—Br3iv88.80 (2)Cu7—Br5A—Cu7i26.45 (14)
Cu4—Pb1—Br3iv90.47 (3)Br5B—Br5A—Br5Bxxi23 (2)
Cu4i—Pb1—Br3iv144.89 (2)Cu7—Br5A—Br5Bxxi125.3 (3)
Cu3iii—Pb1—Br3iv102.71 (2)Cu7i—Br5A—Br5Bxxi125.3 (3)
O1—Pb1—Br3v114.31 (5)Br5B—Br5A—Cu4i131.2 (13)
O6—Pb1—Br3v159.30 (10)Cu7—Br5A—Cu4i118.82 (11)
O6i—Pb1—Br3v69.16 (10)Cu7i—Br5A—Cu4i104.15 (9)
O7—Pb1—Br3v86.09 (7)Br5Bxxi—Br5A—Cu4i113.4 (2)
Br2ii—Pb1—Br3v88.80 (2)Br5B—Br5A—Cu4131.2 (13)
Cu4—Pb1—Br3v144.89 (2)Cu7—Br5A—Cu4104.15 (10)
Cu4i—Pb1—Br3v90.47 (2)Cu7i—Br5A—Cu4118.82 (11)
Cu3iii—Pb1—Br3v102.71 (2)Br5Bxxi—Br5A—Cu4113.4 (2)
Br3iv—Pb1—Br3v123.28 (4)Cu4i—Br5A—Cu462.57 (5)
O6vi—Se1—O6102.0 (3)Br5B—Br5A—Cu286.29 (7)
O6vi—Se1—O5100.4 (2)Cu7—Br5A—Cu276.20 (8)
O6—Se1—O5100.4 (2)Cu7i—Br5A—Cu2102.59 (9)
O6vi—Se1—O363.43 (16)Br5Bxxi—Br5A—Cu287.17 (5)
O6—Se1—O363.43 (16)Cu4i—Br5A—Cu2125.11 (6)
O5—Se1—O361.9 (2)Cu4—Br5A—Cu262.56 (3)
O6vi—Se1—Cu483.10 (15)Br5B—Br5A—Cu2xii86.29 (7)
O6—Se1—Cu429.28 (15)Cu7—Br5A—Cu2xii102.58 (9)
O5—Se1—Cu482.01 (19)Cu7i—Br5A—Cu2xii76.19 (8)
O3—Se1—Cu434.15 (6)Br5Bxxi—Br5A—Cu2xii87.17 (6)
O6vi—Se1—Cu4vi29.28 (15)Cu4i—Br5A—Cu2xii62.56 (3)
O6—Se1—Cu4vi83.10 (15)Cu4—Br5A—Cu2xii125.11 (6)
O5—Se1—Cu4vi82.01 (19)Cu2—Br5A—Cu2xii171.98 (9)
O3—Se1—Cu4vi34.15 (6)Br5B—Br5A—O8iii157.49 (11)
Cu4—Se1—Cu4vi57.90 (3)Cu7—Br5A—O8iii71.56 (12)
O6vi—Se1—Cu2vii115.66 (16)Cu7i—Br5A—O8iii81.88 (13)
O6—Se1—Cu2vii115.67 (16)Br5Bxxi—Br5A—O8iii149.19 (18)
O5—Se1—Cu2vii26.8 (2)Cu4i—Br5A—O8iii66.37 (9)
O3—Se1—Cu2vii88.74 (12)Cu4—Br5A—O8iii37.06 (8)
Cu4—Se1—Cu2vii105.44 (3)Cu2—Br5A—O8iii71.21 (8)
Cu4vi—Se1—Cu2vii105.44 (3)Cu2xii—Br5A—O8iii116.15 (9)
O6vi—Se1—Cu282.43 (16)Br5B—Br5A—O8xi157.49 (12)
O6—Se1—Cu282.44 (16)Cu7—Br5A—O8xi81.88 (13)
O5—Se1—Cu228.7 (2)Cu7i—Br5A—O8xi71.56 (12)
O3—Se1—Cu233.20 (11)Br5Bxxi—Br5A—O8xi149.19 (18)
Cu4—Se1—Cu257.54 (3)Cu4i—Br5A—O8xi37.06 (8)
Cu4vi—Se1—Cu257.54 (3)Cu4—Br5A—O8xi66.37 (9)
Cu2vii—Se1—Cu255.54 (4)Cu2—Br5A—O8xi116.15 (9)
O6vi—Se1—Br1vii128.84 (15)Cu2xii—Br5A—O8xi71.21 (8)
O6—Se1—Br1vii128.84 (15)O8iii—Br5A—O8xi44.97 (14)
O5—Se1—Br1vii68.3 (2)Br5B—Br5A—Br5Axxi19.5 (18)
O3—Se1—Br1vii130.24 (12)Cu7—Br5A—Br5Axxi122.15 (12)
Cu4—Se1—Br1vii138.74 (3)Cu7i—Br5A—Br5Axxi122.15 (12)
Cu4vi—Se1—Br1vii138.74 (3)Br5Bxxi—Br5A—Br5Axxi3.2 (3)
Cu2vii—Se1—Br1vii41.50 (3)Cu4i—Br5A—Br5Axxi116.09 (8)
Cu2—Se1—Br1vii97.04 (4)Cu4—Br5A—Br5Axxi116.09 (8)
O6vi—Se1—Br3iv75.61 (16)Cu2—Br5A—Br5Axxi87.01 (5)
O6—Se1—Br3iv75.61 (16)Cu2xii—Br5A—Br5Axxi87.01 (5)
O5—Se1—Br3iv173.4 (2)O8iii—Br5A—Br5Axxi151.25 (9)
O3—Se1—Br3iv111.47 (11)O8xi—Br5A—Br5Axxi151.25 (9)
Cu4—Se1—Br3iv92.19 (3)Br5B—Br5A—O3xii115.4 (4)
Cu4vi—Se1—Br3iv92.19 (3)Cu7—Br5A—O3xii106.32 (14)
Cu2vii—Se1—Br3iv159.79 (4)Cu7i—Br5A—O3xii82.91 (13)
Cu2—Se1—Br3iv144.68 (4)Br5Bxxi—Br5A—O3xii108.83 (13)
Br1vii—Se1—Br3iv118.28 (4)Cu4i—Br5A—O3xii32.51 (9)
O4—Se2—O8100.8 (2)Cu4—Br5A—O3xii94.29 (11)
O4—Se2—O8vi100.8 (2)Cu2—Br5A—O3xii156.13 (12)
O8—Se2—O8vi96.2 (3)Cu2xii—Br5A—O3xii31.89 (9)
O4—Se2—Cu328.8 (2)O8iii—Br5A—O3xii86.88 (12)
O8—Se2—Cu381.64 (16)O8xi—Br5A—O3xii43.07 (11)
O8vi—Se2—Cu381.64 (16)Br5Axxi—Br5A—O3xii109.96 (10)
O4—Se2—Cu1viii102.63 (6)Br5A—Br5B—Cu765.4 (17)
O8—Se2—Cu1viii119.90 (15)Br5A—Br5B—Cu7i65.4 (17)
O8vi—Se2—Cu1viii25.28 (14)Cu7—Br5B—Cu7i24.69 (19)
Cu3—Se2—Cu1viii94.01 (3)Br5A—Br5B—Br5Bxxi153 (2)
O4—Se2—Cu1iii102.63 (6)Cu7—Br5B—Br5Bxxi140.7 (9)
O8—Se2—Cu1iii25.28 (14)Cu7i—Br5B—Br5Bxxi140.7 (9)
O8vi—Se2—Cu1iii119.90 (15)Br5A—Br5B—Br5Axxi157 (2)
Cu3—Se2—Cu1iii94.01 (3)Cu7—Br5B—Br5Axxi136.5 (5)
Cu1viii—Se2—Cu1iii140.96 (5)Cu7i—Br5B—Br5Axxi136.5 (5)
O4—Se2—Cu4ix81.6 (2)Br5Bxxi—Br5B—Br5Axxi4.4 (4)
O8—Se2—Cu4ix79.08 (15)Br5A—Br5B—Cu284.6 (2)
O8vi—Se2—Cu4ix28.59 (15)Cu7—Br5B—Cu274.0 (2)
Cu3—Se2—Cu4ix56.72 (3)Cu7i—Br5B—Cu298.6 (3)
Cu1viii—Se2—Cu4ix51.31 (2)Br5Bxxi—Br5B—Cu295.5 (2)
Cu1iii—Se2—Cu4ix104.30 (4)Br5Axxi—Br5B—Cu295.6 (2)
O4—Se2—Cu4iii81.6 (2)Br5A—Br5B—Cu2xii84.6 (2)
O8—Se2—Cu4iii28.59 (15)Cu7—Br5B—Cu2xii98.6 (3)
O8vi—Se2—Cu4iii79.07 (15)Cu7i—Br5B—Cu2xii74.0 (2)
Cu3—Se2—Cu4iii56.72 (3)Br5Bxxi—Br5B—Cu2xii95.5 (2)
Cu1viii—Se2—Cu4iii104.30 (4)Br5Axxi—Br5B—Cu2xii95.6 (2)
Cu1iii—Se2—Cu4iii51.31 (2)Cu2—Br5B—Cu2xii168.7 (5)
Cu4ix—Se2—Cu4iii55.12 (3)Br5A—Br5B—Cu4i42.3 (12)
O4—Se2—Br1x172.6 (2)Cu7—Br5B—Cu4i102.8 (4)
O8—Se2—Br1x84.14 (16)Cu7i—Br5B—Cu4i91.3 (3)
O8vi—Se2—Br1x84.14 (16)Br5Bxxi—Br5B—Cu4i115.8 (7)
Cu3—Se2—Br1x158.65 (4)Br5Axxi—Br5B—Cu4i119.6 (4)
Cu1viii—Se2—Br1x79.39 (3)Cu2—Br5B—Cu4i113.9 (3)
Cu1iii—Se2—Br1x79.39 (3)Cu2xii—Br5B—Cu4i58.71 (14)
Cu4ix—Se2—Br1x104.92 (3)Br5A—Br5B—Cu442.3 (12)
Cu4iii—Se2—Br1x104.92 (3)Cu7—Br5B—Cu491.3 (3)
O4—Se2—O1iii62.0 (2)Cu7i—Br5B—Cu4102.8 (4)
O8—Se2—O1iii61.41 (16)Br5Bxxi—Br5B—Cu4115.8 (7)
O8vi—Se2—O1iii61.41 (16)Br5Axxi—Br5B—Cu4119.6 (4)
Cu3—Se2—O1iii33.18 (11)Cu2—Br5B—Cu458.71 (14)
Cu1viii—Se2—O1iii83.09 (4)Cu2xii—Br5B—Cu4113.9 (3)
Cu1iii—Se2—O1iii83.09 (4)Cu4i—Br5B—Cu455.4 (2)
Cu4ix—Se2—O1iii32.82 (6)Br5A—Br5B—O5xxi116.6 (4)
Cu4iii—Se2—O1iii32.82 (6)Cu7—Br5B—O5xxi103.7 (4)
Br1x—Se2—O1iii125.46 (11)Cu7i—Br5B—O5xxi82.0 (3)
O4—Se2—Cu524.8 (2)Br5Bxxi—Br5B—O5xxi70.9 (3)
O8—Se2—Cu5115.98 (16)Br5Axxi—Br5B—O5xxi69.4 (2)
O8vi—Se2—Cu5115.98 (16)Cu2—Br5B—O5xxi156.2 (4)
Cu3—Se2—Cu553.55 (4)Cu2xii—Br5B—O5xxi33.04 (11)
Cu1viii—Se2—Cu5107.72 (3)Cu4i—Br5B—O5xxi89.85 (13)
Cu1iii—Se2—Cu5107.72 (3)Cu4—Br5B—O5xxi144.7 (3)
Cu4ix—Se2—Cu5103.54 (3)Br5A—Br5B—O5vii116.6 (4)
Cu4iii—Se2—Cu5103.54 (3)Cu7—Br5B—O5vii82.0 (3)
Br1x—Se2—Cu5147.80 (4)Cu7i—Br5B—O5vii103.7 (4)
O1iii—Se2—Cu586.73 (11)Br5Bxxi—Br5B—O5vii70.9 (3)
O4—Se2—Br2iii107.33 (10)Br5Axxi—Br5B—O5vii69.4 (2)
O8—Se2—Br2iii64.33 (14)Cu2—Br5B—O5vii33.04 (11)
O8vi—Se2—Br2iii148.12 (16)Cu2xii—Br5B—O5vii156.2 (4)
Cu3—Se2—Br2iii117.32 (2)Cu4i—Br5B—O5vii144.7 (3)
Cu1viii—Se2—Br2iii148.30 (4)Cu4—Br5B—O5vii89.85 (13)
Cu1iii—Se2—Br2iii39.34 (3)O5xxi—Br5B—O5vii123.5 (4)
Cu4ix—Se2—Br2iii143.26 (3)Br5A—Br5B—O5xii100.0 (9)
Cu4iii—Se2—Br2iii90.23 (3)Cu7—Br5B—O5xii132.2 (3)
Br1x—Se2—Br2iii69.60 (2)Cu7i—Br5B—O5xii107.53 (17)
O1iii—Se2—Br2iii120.18 (2)Br5Bxxi—Br5B—O5xii68.4 (3)
Cu5—Se2—Br2iii95.65 (3)Br5Axxi—Br5B—O5xii70.0 (2)
O9—Se3—O9i101.6 (3)Cu2—Br5B—O5xii153.0 (5)
O9—Se3—O7101.8 (2)Cu2xii—Br5B—O5xii33.58 (11)
O9i—Se3—O7101.8 (2)Cu4i—Br5B—O5xii59.91 (18)
O9—Se3—O2iii63.74 (17)Cu4—Br5B—O5xii107.7 (4)
O9i—Se3—O2iii63.74 (17)O5xxi—Br5B—O5xii39.8 (2)
O7—Se3—O2iii63.2 (2)O5vii—Br5B—O5xii139.3 (4)
O9—Se3—Cu630.07 (16)Cu7i—Cu7—Br5A76.77 (7)
O9i—Se3—Cu683.11 (16)Cu7i—Cu7—Br5B77.65 (10)
O7—Se3—Cu682.59 (18)Br5A—Cu7—Br5B11.3 (3)
O2iii—Se3—Cu633.67 (6)Cu7i—Cu7—Br2xiv77.75 (6)
O9—Se3—Cu6xi83.11 (16)Br5A—Cu7—Br2xiv108.97 (13)
O9i—Se3—Cu6xi30.07 (16)Br5B—Cu7—Br2xiv98.4 (3)
O7—Se3—Cu6xi82.59 (18)Cu7i—Cu7—Br1xiv77.81 (6)
O2iii—Se3—Cu6xi33.67 (6)Br5A—Cu7—Br1xiv127.45 (13)
Cu6—Se3—Cu6xi57.52 (2)Br5B—Cu7—Br1xiv137.6 (3)
O9—Se3—Cu3iii83.27 (17)Br2xiv—Cu7—Br1xiv109.42 (11)
O9i—Se3—Cu3iii83.27 (17)Cu7i—Cu7—Br1175.12 (7)
O7—Se3—Cu3iii29.5 (2)Br5A—Cu7—Br1107.26 (11)
O2iii—Se3—Cu3iii33.72 (12)Br5B—Cu7—Br1106.85 (13)
Cu6—Se3—Cu3iii57.37 (2)Br2xiv—Cu7—Br1103.11 (10)
Cu6xi—Se3—Cu3iii57.37 (2)Br1xiv—Cu7—Br197.43 (10)
O9—Se3—Cu5xii115.23 (16)Cu7i—Cu7—Cu1xiv80.10 (5)
O9i—Se3—Cu5xii21.69 (16)Br5A—Cu7—Cu1xiv151.01 (12)
O7—Se3—Cu5xii112.96 (7)Br5B—Cu7—Cu1xiv143.5 (3)
O2iii—Se3—Cu5xii85.37 (6)Br2xiv—Cu7—Cu1xiv48.34 (6)
Cu6—Se3—Cu5xii102.84 (3)Br1xiv—Cu7—Cu1xiv62.71 (7)
Cu6xi—Se3—Cu5xii51.71 (2)Br1—Cu7—Cu1xiv96.84 (9)
Cu3iii—Se3—Cu5xii101.43 (3)Cu7i—Cu7—Cu7xiv127.58 (10)
O9—Se3—Cu521.69 (16)Br5A—Cu7—Cu7xiv132.97 (16)
O9i—Se3—Cu5115.23 (16)Br5B—Cu7—Cu7xiv140.7 (3)
O7—Se3—Cu5112.96 (7)Br2xiv—Cu7—Cu7xiv114.99 (13)
O2iii—Se3—Cu585.37 (6)Br1xiv—Cu7—Cu7xiv49.78 (8)
Cu6—Se3—Cu551.71 (2)Br1—Cu7—Cu7xiv47.65 (7)
Cu6xi—Se3—Cu5102.84 (3)Cu1xiv—Cu7—Cu7xiv75.52 (10)
Cu3iii—Se3—Cu5101.43 (3)Cu7i—Cu7—O8iii102.49 (8)
Cu5xii—Se3—Cu5122.04 (5)Br5A—Cu7—O8iii67.81 (11)
Cu2—Br1—Cu7xiii140.02 (8)Br5B—Cu7—O8iii78.3 (3)
Cu2—Br1—Cu7xiv140.02 (8)Br2xiv—Cu7—O8iii176.50 (14)
Cu7xiii—Br1—Cu7xiv24.38 (12)Br1xiv—Cu7—O8iii73.99 (10)
Cu2—Br1—Cu7vi85.61 (7)Br1—Cu7—O8iii76.96 (10)
Cu7xiii—Br1—Cu7vi82.57 (10)Cu1xiv—Cu7—O8iii135.16 (13)
Cu7xiv—Br1—Cu7vi106.94 (9)Cu7xiv—Cu7—O8iii67.71 (11)
Cu2—Br1—Cu785.61 (7)Cu7i—Cu7—Cu2139.18 (5)
Cu7xiii—Br1—Cu7106.94 (9)Br5A—Cu7—Cu262.60 (7)
Cu7xiv—Br1—Cu782.57 (10)Br5B—Cu7—Cu261.76 (10)
Cu7vi—Br1—Cu7170.25 (14)Br2xiv—Cu7—Cu2110.70 (11)
Cu2—Br1—Cu173.96 (5)Br1xiv—Cu7—Cu2130.03 (10)
Cu7xiii—Br1—Cu168.19 (7)Br1—Cu7—Cu245.16 (5)
Cu7xiv—Br1—Cu168.19 (7)Cu1xiv—Cu7—Cu2136.23 (9)
Cu7vi—Br1—Cu190.82 (7)Cu7xiv—Cu7—Cu286.35 (11)
Cu7—Br1—Cu190.82 (7)O8iii—Cu7—Cu266.80 (9)
Cu2—Br1—O336.86 (12)Cu7i—Cu7—Br1xii3.46 (5)
Cu7xiii—Br1—O3104.42 (13)Br5A—Cu7—Br1xii79.66 (7)
Cu7xiv—Br1—O3104.42 (13)Br5B—Cu7—Br1xii80.86 (10)
Cu7vi—Br1—O387.76 (7)Br2xiv—Cu7—Br1xii78.41 (7)
Cu7—Br1—O387.76 (7)Br1xiv—Cu7—Br1xii74.43 (7)
Cu1—Br1—O337.11 (12)Br1—Cu7—Br1xii171.66 (12)
Cu2—Br1—O5vii35.50 (12)Cu1xiv—Cu7—Br1xii77.95 (6)
Cu7xiii—Br1—O5vii167.48 (7)Cu7xiv—Cu7—Br1xii124.19 (14)
Cu7xiv—Br1—O5vii167.48 (7)O8iii—Cu7—Br1xii102.04 (10)
Cu7vi—Br1—O5vii85.20 (7)Cu2—Cu7—Br1xii142.20 (9)
Cu7—Br1—O5vii85.20 (7)Cu7i—Cu7—O8xi61.49 (7)
Cu1—Br1—O5vii109.46 (12)Br5A—Cu7—O8xi60.42 (10)
O3—Br1—O5vii72.35 (16)Br5B—Cu7—O8xi70.9 (3)
Cu2—Br1—Se2xv132.49 (5)Br2xiv—Cu7—O8xi139.09 (11)
Cu7xiii—Br1—Se2xv85.98 (7)Br1xiv—Cu7—O8xi67.04 (9)
Cu7xiv—Br1—Se2xv85.98 (7)Br1—Cu7—O8xi117.80 (11)
Cu7vi—Br1—Se2xv91.40 (7)Cu1xiv—Cu7—O8xi121.51 (11)
Cu7—Br1—Se2xv91.40 (7)Cu7xiv—Cu7—O8xi93.92 (13)
Cu1—Br1—Se2xv153.54 (5)O8iii—Cu7—O8xi40.99 (13)
O3—Br1—Se2xv169.35 (12)Cu2—Cu7—O8xi98.85 (10)
O5vii—Br1—Se2xv97.00 (12)Br1xii—Cu7—O8xi61.12 (8)
Cu2—Br1—Se1vii64.42 (4)Cu4—O1—Cu4i109.0 (3)
Cu7xiii—Br1—Se1vii151.43 (7)Cu4—O1—Cu3iii112.0 (2)
Cu7xiv—Br1—Se1vii151.43 (7)Cu4i—O1—Cu3iii112.0 (2)
Cu7vi—Br1—Se1vii86.20 (7)Cu4—O1—Pb1107.8 (2)
Cu7—Br1—Se1vii86.20 (7)Cu4i—O1—Pb1107.8 (2)
Cu1—Br1—Se1vii138.39 (4)Cu3iii—O1—Pb1108.2 (3)
O3—Br1—Se1vii101.28 (12)Cu4—O1—O648.15 (14)
O5vii—Br1—Se1vii28.93 (11)Cu4i—O1—O6116.8 (3)
Se2xv—Br1—Se1vii68.07 (3)Cu3iii—O1—O6131.12 (18)
Cu2—Br1—O8xv145.67 (8)Pb1—O1—O659.99 (16)
Cu7xiii—Br1—O8xv73.12 (10)Cu4—O1—O6i116.8 (3)
Cu7xiv—Br1—O8xv64.04 (10)Cu4i—O1—O6i48.15 (14)
Cu7vi—Br1—O8xv113.25 (9)Cu3iii—O1—O6i131.12 (18)
Cu7—Br1—O8xv72.48 (9)Pb1—O1—O6i59.99 (16)
Cu1—Br1—O8xv130.83 (8)O6—O1—O6i86.7 (3)
O3—Br1—O8xv157.88 (8)Cu4—O1—O7125.49 (16)
O5vii—Br1—O8xv114.53 (13)Cu4i—O1—O7125.49 (16)
Se2xv—Br1—O8xv27.82 (7)Cu3iii—O1—O748.3 (2)
Se1vii—Br1—O8xv87.54 (8)Pb1—O1—O760.0 (2)
Cu2—Br1—O8xvi145.67 (8)O6—O1—O7101.9 (2)
Cu7xiii—Br1—O8xvi64.04 (10)O6i—O1—O7101.9 (2)
Cu7xiv—Br1—O8xvi73.12 (10)Cu4—O1—O8iii42.35 (14)
Cu7vi—Br1—O8xvi72.48 (9)Cu4i—O1—O8iii87.4 (2)
Cu7—Br1—O8xvi113.25 (9)Cu3iii—O1—O8iii88.5 (2)
Cu1—Br1—O8xvi130.83 (8)Pb1—O1—O8iii150.11 (17)
O3—Br1—O8xvi157.88 (8)O6—O1—O8iii90.26 (17)
O5vii—Br1—O8xvi114.53 (13)O6i—O1—O8iii126.1 (3)
Se2xv—Br1—O8xvi27.82 (7)O7—O1—O8iii131.1 (2)
Se1vii—Br1—O8xvi87.54 (8)Cu4—O1—O8xi87.4 (2)
O8xv—Br1—O8xvi40.87 (12)Cu4i—O1—O8xi42.35 (14)
Cu1—Br2—Cu7xiv79.00 (8)Cu3iii—O1—O8xi88.5 (2)
Cu1—Br2—Cu7xiii79.00 (8)Pb1—O1—O8xi150.11 (17)
Cu7xiv—Br2—Cu7xiii24.51 (13)O6—O1—O8xi126.1 (3)
Cu1—Br2—Pb1xvii142.33 (5)O6i—O1—O8xi90.26 (17)
Cu7xiv—Br2—Pb1xvii137.46 (8)O7—O1—O8xi131.1 (2)
Cu7xiii—Br2—Pb1xvii137.46 (8)O8iii—O1—O8xi50.41 (18)
Cu1—Br2—O8iii35.43 (7)Cu4—O1—O4iii89.2 (2)
Cu7xiv—Br2—O8iii80.26 (11)Cu4i—O1—O4iii89.2 (2)
Cu7xiii—Br2—O8iii94.14 (11)Cu3iii—O1—O4iii41.40 (18)
Pb1xvii—Br2—O8iii125.22 (9)Pb1—O1—O4iii149.7 (3)
Cu1—Br2—O8ix35.43 (7)O6—O1—O4iii134.28 (15)
Cu7xiv—Br2—O8ix94.14 (11)O6i—O1—O4iii134.28 (15)
Cu7xiii—Br2—O8ix80.26 (11)O7—O1—O4iii89.7 (3)
Pb1xvii—Br2—O8ix125.22 (9)O8iii—O1—O4iii51.88 (17)
O8iii—Br2—O8ix69.34 (14)O8xi—O1—O4iii51.88 (17)
Cu1—Br2—O6xvii148.25 (7)Cu4—O1—Se2iii72.51 (18)
Cu7xiv—Br2—O6xvii111.76 (10)Cu4i—O1—Se2iii72.51 (18)
Cu7xiii—Br2—O6xvii98.72 (10)Cu3iii—O1—Se2iii71.23 (18)
Pb1xvii—Br2—O6xvii42.60 (7)Pb1—O1—Se2iii179.5 (3)
O8iii—Br2—O6xvii167.14 (11)O6—O1—Se2iii120.33 (18)
O8ix—Br2—O6xvii112.82 (10)O6i—O1—Se2iii120.33 (18)
Cu1—Br2—O6xviii148.25 (7)O7—O1—Se2iii119.5 (2)
Cu7xiv—Br2—O6xviii98.72 (10)O8iii—O1—Se2iii30.17 (10)
Cu7xiii—Br2—O6xviii111.76 (10)O8xi—O1—Se2iii30.17 (10)
Pb1xvii—Br2—O6xviii42.60 (7)O4iii—O1—Se2iii29.83 (14)
O8iii—Br2—O6xviii112.82 (10)Cu4—O1—Br457.43 (9)
O8ix—Br2—O6xviii167.14 (11)Cu4i—O1—Br4152.4 (3)
O6xvii—Br2—O6xviii62.13 (13)Cu3iii—O1—Br461.07 (9)
Cu1—Br2—Se2iii63.18 (2)Pb1—O1—Br499.56 (13)
Cu7xiv—Br2—Se2iii87.35 (7)O6—O1—Br473.86 (10)
Cu7xiii—Br2—Se2iii108.64 (7)O6i—O1—Br4157.5 (2)
Pb1xvii—Br2—Se2iii102.42 (3)O7—O1—Br471.91 (12)
O8iii—Br2—Se2iii27.91 (7)O8iii—O1—Br466.48 (11)
O8ix—Br2—Se2iii95.54 (8)O8xi—O1—Br4110.26 (18)
O6xvii—Br2—Se2iii143.54 (7)O4iii—O1—Br468.10 (10)
O6xviii—Br2—Se2iii85.13 (7)Se2iii—O1—Br480.20 (10)
Cu1—Br2—Se2viii63.18 (2)Cu6—O2—Cu6ix113.1 (3)
Cu7xiv—Br2—Se2viii108.64 (7)Cu6—O2—Cu3113.0 (2)
Cu7xiii—Br2—Se2viii87.35 (7)Cu6ix—O2—Cu3113.0 (2)
Pb1xvii—Br2—Se2viii102.42 (3)Cu6—O2—Cu5104.7 (2)
O8iii—Br2—Se2viii95.54 (8)Cu6ix—O2—Cu5104.7 (2)
O8ix—Br2—Se2viii27.91 (7)Cu3—O2—Cu5107.4 (3)
O6xvii—Br2—Se2viii85.13 (7)Cu6—O2—O4123.07 (16)
O6xviii—Br2—Se2viii143.54 (7)Cu6ix—O2—O4123.07 (16)
Se2iii—Br2—Se2viii119.00 (4)Cu3—O2—O452.8 (2)
Cu1—Br2—Br5Bxiv117.8 (2)Cu5—O2—O454.6 (2)
Cu7xiv—Br2—Br5Bxiv40.60 (19)Cu6—O2—O9vi124.1 (3)
Cu7xiii—Br2—Br5Bxiv40.60 (19)Cu6ix—O2—O9vi50.56 (14)
Pb1xvii—Br2—Br5Bxiv99.92 (19)Cu3—O2—O9vi122.5 (2)
O8iii—Br2—Br5Bxiv118.57 (17)Cu5—O2—O9vi54.18 (17)
O8ix—Br2—Br5Bxiv118.57 (17)O4—O2—O9vi88.3 (2)
O6xvii—Br2—Br5Bxiv72.26 (18)Cu6—O2—O950.56 (14)
O6xviii—Br2—Br5Bxiv72.26 (18)Cu6ix—O2—O9124.1 (3)
Se2iii—Br2—Br5Bxiv114.57 (7)Cu3—O2—O9122.5 (2)
Se2viii—Br2—Br5Bxiv114.57 (7)Cu5—O2—O954.18 (17)
Cu1—Br2—Br5Axiv110.68 (6)O4—O2—O988.3 (2)
Cu7xiv—Br2—Br5Axiv33.98 (8)O9vi—O2—O991.5 (3)
Cu7xiii—Br2—Br5Axiv33.98 (8)Cu6—O2—O7iii90.9 (2)
Pb1xvii—Br2—Br5Axiv106.99 (5)Cu6ix—O2—O7iii90.9 (2)
O8iii—Br2—Br5Axiv113.09 (9)Cu3—O2—O7iii43.54 (19)
O8ix—Br2—Br5Axiv113.09 (9)Cu5—O2—O7iii151.0 (3)
O6xvii—Br2—Br5Axiv78.24 (8)O4—O2—O7iii96.3 (3)
O6xviii—Br2—Br5Axiv78.24 (8)O9vi—O2—O7iii134.11 (15)
Se2iii—Br2—Br5Axiv112.14 (3)O9—O2—O7iii134.11 (15)
Se2viii—Br2—Br5Axiv112.14 (3)Cu6—O2—O9ix91.0 (2)
Br5Bxiv—Br2—Br5Axiv7.07 (19)Cu6ix—O2—O9ix42.60 (15)
Cu5—Br3—O936.77 (7)Cu3—O2—O9ix91.9 (2)
Cu5—Br3—O9vi36.76 (7)Cu5—O2—O9ix147.2 (2)
O9—Br3—O9vi63.85 (15)O4—O2—O9ix137.0 (3)
Cu5—Br3—O435.46 (11)O9vi—O2—O9ix93.16 (17)
O9—Br3—O460.67 (12)O9—O2—O9ix134.5 (3)
O9vi—Br3—O460.67 (12)O7iii—O2—O9ix53.86 (18)
Cu5—Br3—O6iv135.13 (8)Cu6—O2—O9iii42.60 (15)
O9—Br3—O6iv158.89 (11)Cu6ix—O2—O9iii91.0 (2)
O9vi—Br3—O6iv122.57 (10)Cu3—O2—O9iii91.9 (2)
O4—Br3—O6iv103.29 (13)Cu5—O2—O9iii147.2 (2)
Cu5—Br3—O6xix135.13 (8)O4—O2—O9iii137.0 (3)
O9—Br3—O6xix122.57 (10)O9vi—O2—O9iii134.5 (3)
O9vi—Br3—O6xix158.89 (11)O9—O2—O9iii93.16 (17)
O4—Br3—O6xix103.29 (13)O7iii—O2—O9iii53.86 (18)
O6iv—Br3—O6xix43.81 (13)O9ix—O2—O9iii53.6 (2)
Cu5—Br3—Se1iv122.39 (5)Cu6—O2—Se3iii74.07 (19)
O9—Br3—Se1iv131.75 (8)Cu6ix—O2—Se3iii74.07 (19)
O9vi—Br3—Se1iv131.75 (8)Cu3—O2—Se3iii75.0 (2)
O4—Br3—Se1iv86.93 (11)Cu5—O2—Se3iii177.5 (3)
O6iv—Br3—Se1iv27.72 (7)O4—O2—Se3iii127.8 (3)
O6xix—Br3—Se1iv27.72 (7)O9vi—O2—Se3iii124.62 (18)
Cu5—Br3—Pb1iv115.00 (2)O9—O2—Se3iii124.62 (18)
O9—Br3—Pb1iv149.85 (7)O7iii—O2—Se3iii31.51 (15)
O9vi—Br3—Pb1iv86.22 (7)O9ix—O2—Se3iii31.47 (11)
O4—Br3—Pb1iv102.61 (5)O9iii—O2—Se3iii31.47 (11)
O6iv—Br3—Pb1iv40.74 (7)Cu6—O2—O2iii0.0
O6xix—Br3—Pb1iv84.20 (7)Cu6ix—O2—O2iii113.1 (3)
Se1iv—Br3—Pb1iv65.824 (19)Cu3—O2—O2iii113.0 (2)
Cu5—Br3—Pb1v115.00 (2)Cu5—O2—O2iii104.7 (2)
O9—Br3—Pb1v86.22 (7)O4—O2—O2iii123.07 (16)
O9vi—Br3—Pb1v149.84 (7)O9vi—O2—O2iii124.1 (3)
O4—Br3—Pb1v102.61 (5)O9—O2—O2iii50.56 (14)
O6iv—Br3—Pb1v84.20 (7)O7iii—O2—O2iii90.9 (2)
O6xix—Br3—Pb1v40.74 (7)O9ix—O2—O2iii91.0 (2)
Se1iv—Br3—Pb1v65.824 (19)O9iii—O2—O2iii42.60 (15)
Pb1iv—Br3—Pb1v123.28 (4)Se3iii—O2—O2iii74.07 (19)
Cu5—Br3—O7v123.37 (8)Cu2—O3—Cu4vi114.6 (2)
O9—Br3—O7v86.61 (11)Cu2—O3—Cu4114.6 (2)
O9vi—Br3—O7v136.81 (12)Cu4vi—O3—Cu4112.4 (3)
O4—Br3—O7v131.81 (6)Cu2—O3—Cu1118.4 (3)
O6iv—Br3—O7v96.54 (11)Cu4vi—O3—Cu197.2 (2)
O6xix—Br3—O7v63.76 (11)Cu4—O3—Cu197.2 (2)
Se1iv—Br3—O7v91.35 (9)Cu2—O3—O8ix116.5 (2)
Pb1iv—Br3—O7v120.34 (8)Cu4vi—O3—O8ix52.15 (13)
Pb1v—Br3—O7v36.25 (8)Cu4—O3—O8ix127.9 (3)
Cu5—Br3—O7iv123.37 (8)Cu1—O3—O8ix48.95 (14)
O9—Br3—O7iv136.81 (12)Cu2—O3—O8iii116.5 (2)
O9vi—Br3—O7iv86.61 (11)Cu4vi—O3—O8iii127.9 (3)
O4—Br3—O7iv131.81 (6)Cu4—O3—O8iii52.15 (13)
O6iv—Br3—O7iv63.76 (11)Cu1—O3—O8iii48.95 (14)
O6xix—Br3—O7iv96.54 (11)O8ix—O3—O8iii95.2 (3)
Se1iv—Br3—O7iv91.35 (9)Cu2—O3—O544.71 (19)
Pb1iv—Br3—O7iv36.25 (8)Cu4vi—O3—O592.1 (2)
Pb1v—Br3—O7iv120.34 (8)Cu4—O3—O592.1 (2)
O7v—Br3—O7iv96.36 (13)Cu1—O3—O5163.1 (3)
Cu5—Br3—O20.02 (9)O8ix—O3—O5132.28 (14)
O9—Br3—O236.76 (8)O8iii—O3—O5132.28 (14)
O9vi—Br3—O236.76 (8)Cu2—O3—O6vi93.7 (2)
O4—Br3—O235.48 (14)Cu4vi—O3—O6vi42.78 (14)
O6iv—Br3—O2135.15 (11)Cu4—O3—O6vi91.5 (2)
O6xix—Br3—O2135.15 (11)Cu1—O3—O6vi138.5 (2)
Se1iv—Br3—O2122.41 (9)O8ix—O3—O6vi94.66 (16)
Pb1iv—Br3—O2115.00 (3)O8iii—O3—O6vi139.2 (3)
Pb1v—Br3—O2115.00 (3)O5—O3—O6vi54.72 (17)
O7v—Br3—O2123.36 (9)Cu2—O3—O693.7 (2)
O7iv—Br3—O2123.36 (9)Cu4vi—O3—O691.5 (2)
Cu4—Br4—Cu4vi63.29 (4)Cu4—O3—O642.78 (15)
Cu4—Br4—Cu3viii125.13 (4)Cu1—O3—O6138.5 (2)
Cu4vi—Br4—Cu3viii61.84 (3)O8ix—O3—O6139.2 (3)
Cu4—Br4—Cu3iii61.84 (3)O8iii—O3—O694.66 (16)
Cu4vi—Br4—Cu3iii125.13 (4)O5—O3—O654.72 (17)
Cu3viii—Br4—Cu3iii173.02 (6)O6vi—O3—O654.4 (2)
Cu4—Br4—Cu6ix175.04 (3)Cu2—O3—Br151.33 (15)
Cu4vi—Br4—Cu6ix119.96 (2)Cu4vi—O3—Br1123.23 (16)
Cu3viii—Br4—Cu6ix58.26 (3)Cu4—O3—Br1123.23 (16)
Cu3iii—Br4—Cu6ix114.77 (4)Cu1—O3—Br167.02 (18)
Cu4—Br4—Cu6119.96 (2)O8ix—O3—Br183.36 (19)
Cu4vi—Br4—Cu6175.04 (3)O8iii—O3—Br183.36 (19)
Cu3viii—Br4—Cu6114.77 (4)O5—O3—Br196.0 (2)
Cu3iii—Br4—Cu658.26 (3)O6vi—O3—Br1137.15 (19)
Cu6ix—Br4—Cu656.52 (3)O6—O3—Br1137.15 (19)
Cu4—Br4—O333.20 (4)Cu2—O3—Se177.1 (2)
Cu4vi—Br4—O333.20 (4)Cu4vi—O3—Se174.55 (18)
Cu3viii—Br4—O393.42 (3)Cu4—O3—Se174.55 (18)
Cu3iii—Br4—O393.42 (3)Cu1—O3—Se1164.5 (3)
Cu6ix—Br4—O3148.39 (5)O8ix—O3—Se1126.30 (17)
Cu6—Br4—O3148.39 (5)O8iii—O3—Se1126.30 (17)
Cu4—Br4—Cu151.24 (3)O5—O3—Se132.44 (15)
Cu4vi—Br4—Cu151.24 (3)O6vi—O3—Se131.77 (10)
Cu3viii—Br4—Cu192.52 (3)O6—O3—Se131.77 (10)
Cu3iii—Br4—Cu192.52 (3)Br1—O3—Se1128.5 (2)
Cu6ix—Br4—Cu1127.05 (3)Cu2—O3—Br4165.0 (3)
Cu6—Br4—Cu1127.05 (3)Cu4vi—O3—Br460.14 (16)
O3—Br4—Cu132.05 (10)Cu4—O3—Br460.14 (16)
Cu4—Br4—O132.13 (9)Cu1—O3—Br476.63 (19)
Cu4vi—Br4—O194.10 (9)O8ix—O3—Br472.51 (18)
Cu3viii—Br4—O1154.34 (10)O8iii—O3—Br472.51 (18)
Cu3iii—Br4—O132.27 (9)O5—O3—Br4120.3 (2)
Cu6ix—Br4—O1145.58 (9)O6vi—O3—Br473.01 (16)
Cu6—Br4—O189.79 (9)O6—O3—Br473.00 (16)
O3—Br4—O165.32 (10)Br1—O3—Br4143.7 (2)
Cu1—Br4—O177.05 (10)Se1—O3—Br487.87 (15)
Cu4—Br4—O1xx94.10 (9)Se2—O4—Cu3127.3 (4)
Cu4vi—Br4—O1xx32.13 (9)Se2—O4—Cu5135.3 (4)
Cu3viii—Br4—O1xx32.27 (9)Cu3—O4—Cu597.4 (3)
Cu3iii—Br4—O1xx154.34 (10)Se2—O4—O2176.0 (4)
Cu6ix—Br4—O1xx89.79 (9)Cu3—O4—O248.6 (2)
Cu6—Br4—O1xx145.58 (9)Cu5—O4—O248.7 (2)
O3—Br4—O1xx65.32 (10)Se2—O4—O839.86 (15)
Cu1—Br4—O1xx77.05 (10)Cu3—O4—O897.6 (2)
O1—Br4—O1xx122.12 (18)Cu5—O4—O8147.13 (18)
Cu4—Br4—O8iii33.94 (7)O2—O4—O8137.4 (2)
Cu4vi—Br4—O8iii73.13 (7)Se2—O4—O8vi39.86 (15)
Cu3viii—Br4—O8iii123.54 (7)Cu3—O4—O8vi97.6 (2)
Cu3iii—Br4—O8iii61.72 (7)Cu5—O4—O8vi147.13 (18)
Cu6ix—Br4—O8iii141.79 (8)O2—O4—O8vi137.4 (2)
Cu6—Br4—O8iii107.40 (7)O8—O4—O8vi58.1 (2)
O3—Br4—O8iii41.60 (9)Se2—O4—O1iii88.2 (3)
Cu1—Br4—O8iii31.04 (6)Cu3—O4—O1iii39.14 (17)
O1—Br4—O8iii48.75 (12)Cu5—O4—O1iii136.5 (3)
O1xx—Br4—O8iii103.91 (12)O2—O4—O1iii87.8 (3)
Cu4—Br4—O8ix73.13 (7)O8—O4—O1iii63.7 (2)
Cu4vi—Br4—O8ix33.94 (7)O8vi—O4—O1iii63.7 (2)
Cu3viii—Br4—O8ix61.72 (7)Se2—O4—Br394.2 (2)
Cu3iii—Br4—O8ix123.54 (7)Cu3—O4—Br3138.5 (3)
Cu6ix—Br4—O8ix107.40 (7)Cu5—O4—Br341.12 (13)
Cu6—Br4—O8ix141.79 (8)O2—O4—Br389.9 (2)
O3—Br4—O8ix41.60 (9)O8—O4—Br3118.2 (2)
Cu1—Br4—O8ix31.04 (6)O8vi—O4—Br3118.2 (2)
O1—Br4—O8ix103.91 (12)O1iii—O4—Br3177.6 (3)
O1xx—Br4—O8ix48.75 (12)Se2—O4—O9136.0 (2)
O8iii—Br4—O8ix61.87 (13)Cu3—O4—O985.9 (2)
O8ix—Cu1—O8iii151.1 (3)Cu5—O4—O933.51 (10)
O8ix—Cu1—O381.44 (14)O2—O4—O946.73 (16)
O8iii—Cu1—O381.44 (14)O8—O4—O9119.38 (11)
O8ix—Cu1—Br299.30 (14)O8vi—O4—O9175.8 (2)
O8iii—Cu1—Br299.30 (14)O1iii—O4—O9118.7 (2)
O3—Cu1—Br2176.2 (2)Br3—O4—O959.37 (13)
O8ix—Cu1—Cu4vi44.39 (13)Se2—O4—O9vi136.0 (2)
O8iii—Cu1—Cu4vi110.26 (14)Cu3—O4—O9vi85.9 (2)
O3—Cu1—Cu4vi40.84 (10)Cu5—O4—O9vi33.51 (10)
Br2—Cu1—Cu4vi141.12 (4)O2—O4—O9vi46.73 (16)
O8ix—Cu1—Cu4110.26 (14)O8—O4—O9vi175.8 (2)
O8iii—Cu1—Cu444.39 (13)O8vi—O4—O9vi119.38 (11)
O3—Cu1—Cu440.84 (10)O1iii—O4—O9vi118.7 (2)
Br2—Cu1—Cu4141.12 (4)Br3—O4—O9vi59.37 (13)
Cu4vi—Cu1—Cu466.43 (4)O9—O4—O9vi62.92 (18)
O8ix—Cu1—Br199.09 (15)Se2—O4—Cu4ix70.13 (19)
O8iii—Cu1—Br199.09 (15)Cu3—O4—Cu4ix62.95 (16)
O3—Cu1—Br175.87 (19)Cu5—O4—Cu4ix145.74 (18)
Br2—Cu1—Br1100.34 (5)O2—O4—Cu4ix106.3 (2)
Cu4vi—Cu1—Br199.30 (4)O8—O4—Cu4ix66.71 (17)
Cu4—Cu1—Br199.30 (4)O8vi—O4—Cu4ix34.68 (12)
O8ix—Cu1—Cu7xiv114.34 (15)O1iii—O4—Cu4ix32.70 (9)
O8iii—Cu1—Cu7xiv94.54 (15)Br3—O4—Cu4ix148.62 (12)
O3—Cu1—Cu7xiv123.6 (2)O9—O4—Cu4ix148.8 (2)
Br2—Cu1—Cu7xiv52.66 (7)O9vi—O4—Cu4ix113.34 (11)
Cu4vi—Cu1—Cu7xiv143.53 (7)Se2—O4—Cu4iii70.13 (19)
Cu4—Cu1—Cu7xiv128.01 (6)Cu3—O4—Cu4iii62.95 (16)
Br1—Cu1—Cu7xiv49.10 (6)Cu5—O4—Cu4iii145.74 (18)
O8ix—Cu1—Cu7xiii94.54 (15)O2—O4—Cu4iii106.3 (2)
O8iii—Cu1—Cu7xiii114.34 (15)O8—O4—Cu4iii34.68 (12)
O3—Cu1—Cu7xiii123.6 (2)O8vi—O4—Cu4iii66.71 (17)
Br2—Cu1—Cu7xiii52.66 (7)O1iii—O4—Cu4iii32.70 (9)
Cu4vi—Cu1—Cu7xiii128.01 (6)Br3—O4—Cu4iii148.62 (12)
Cu4—Cu1—Cu7xiii143.53 (7)O9—O4—Cu4iii113.34 (11)
Br1—Cu1—Cu7xiii49.10 (6)O9vi—O4—Cu4iii148.8 (2)
Cu7xiv—Cu1—Cu7xiii19.80 (10)Cu4ix—O4—Cu4iii52.18 (10)
O8ix—Cu1—Cu288.41 (14)Se1—O5—Cu2vii129.5 (4)
O8iii—Cu1—Cu288.41 (14)Se1—O5—Cu2126.9 (4)
O3—Cu1—Cu230.21 (19)Cu2vii—O5—Cu2103.6 (3)
Br2—Cu1—Cu2146.00 (6)Se1—O5—O5vii177.6 (5)
Cu4vi—Cu1—Cu261.70 (3)Cu2vii—O5—O5vii52.9 (2)
Cu4—Cu1—Cu261.70 (3)Cu2—O5—O5vii50.7 (2)
Br1—Cu1—Cu245.66 (3)Se1—O5—O6vi39.40 (14)
Cu7xiv—Cu1—Cu293.94 (7)Cu2vii—O5—O6vi142.4 (2)
Cu7xiii—Cu1—Cu293.94 (7)Cu2—O5—O6vi98.7 (2)
O8ix—Cu1—Se2viii22.18 (13)O5vii—O5—O6vi139.1 (3)
O8iii—Cu1—Se2viii154.08 (16)Se1—O5—O639.40 (14)
O3—Cu1—Se2viii103.48 (5)Cu2vii—O5—O6142.4 (2)
Br2—Cu1—Se2viii77.48 (3)Cu2—O5—O698.7 (2)
Cu4vi—Cu1—Se2viii64.82 (3)O5vii—O5—O6139.1 (3)
Cu4—Cu1—Se2viii127.38 (4)O6vi—O5—O660.2 (2)
Br1—Cu1—Se2viii106.80 (3)Se1—O5—O385.7 (3)
Cu7xiv—Cu1—Se2viii103.18 (6)Cu2vii—O5—O3144.8 (3)
Cu7xiii—Cu1—Se2viii84.49 (6)Cu2—O5—O341.19 (18)
Cu2—Cu1—Se2viii108.78 (3)O5vii—O5—O391.9 (4)
O8ix—Cu1—Se2iii154.08 (16)O6vi—O5—O363.48 (19)
O8iii—Cu1—Se2iii22.18 (13)O6—O5—O363.48 (19)
O3—Cu1—Se2iii103.48 (5)Se1—O5—Br1vii82.7 (2)
Br2—Cu1—Se2iii77.48 (3)Cu2vii—O5—Br1vii46.78 (15)
Cu4vi—Cu1—Se2iii127.38 (4)Cu2—O5—Br1vii150.4 (3)
Cu4—Cu1—Se2iii64.82 (3)O5vii—O5—Br1vii99.7 (3)
Br1—Cu1—Se2iii106.80 (3)O6vi—O5—Br1vii106.8 (2)
Cu7xiv—Cu1—Se2iii84.49 (6)O6—O5—Br1vii106.8 (2)
Cu7xiii—Cu1—Se2iii103.18 (6)O3—O5—Br1vii168.4 (3)
Cu2—Cu1—Se2iii108.78 (3)Se1—O5—Cu4vi68.52 (18)
Se2viii—Cu1—Se2iii140.96 (5)Cu2vii—O5—Cu4vi149.24 (14)
O3—Cu2—O5vii170.5 (3)Cu2—O5—Cu4vi64.54 (16)
O3—Cu2—O594.1 (3)O5vii—O5—Cu4vi109.4 (3)
O5vii—Cu2—O576.4 (3)O6vi—O5—Cu4vi34.21 (12)
O3—Cu2—Br191.8 (2)O6—O5—Cu4vi68.23 (16)
O5vii—Cu2—Br197.7 (2)O3—O5—Cu4vi33.16 (9)
O5—Cu2—Br1174.09 (19)Br1vii—O5—Cu4vi139.37 (16)
O3—Cu2—Cu2vii131.6 (2)Se1—O5—Cu468.52 (18)
O5vii—Cu2—Cu2vii38.85 (19)Cu2vii—O5—Cu4149.24 (14)
O5—Cu2—Cu2vii37.52 (19)Cu2—O5—Cu464.54 (16)
Br1—Cu2—Cu2vii136.57 (7)O5vii—O5—Cu4109.4 (3)
O3—Cu2—Br5A85.99 (5)O6vi—O5—Cu468.23 (16)
O5vii—Cu2—Br5A93.97 (5)O6—O5—Cu434.21 (12)
O5—Cu2—Br5A90.36 (5)O3—O5—Cu433.16 (9)
Br1—Cu2—Br5A90.05 (5)Br1vii—O5—Cu4139.37 (16)
Cu2vii—Cu2—Br5A92.72 (5)Cu4vi—O5—Cu454.11 (10)
O3—Cu2—Br5Axx85.99 (5)Se1—O5—Br5Bxxi109.5 (3)
O5vii—Cu2—Br5Axx93.97 (5)Cu2vii—O5—Br5Bxxi61.9 (2)
O5—Cu2—Br5Axx90.36 (5)Cu2—O5—Br5Bxxi94.0 (3)
Br1—Cu2—Br5Axx90.05 (5)O5vii—O5—Br5Bxxi71.4 (3)
Cu2vii—Cu2—Br5Axx92.72 (5)O6vi—O5—Br5Bxxi146.1 (3)
Br5A—Cu2—Br5Axx171.98 (9)O6—O5—Br5Bxxi87.0 (2)
O3—Cu2—Br5B94.4 (2)O3—O5—Br5Bxxi111.1 (2)
O5vii—Cu2—Br5B85.1 (2)Br1vii—O5—Br5Bxxi73.0 (2)
O5—Cu2—Br5B86.1 (3)Cu4vi—O5—Br5Bxxi142.7 (2)
Br1—Cu2—Br5B93.4 (3)Cu4—O5—Br5Bxxi89.69 (19)
Cu2vii—Cu2—Br5B84.4 (2)Se1—O5—Br5Bvii109.5 (3)
Br5A—Cu2—Br5B9.1 (2)Cu2vii—O5—Br5Bvii61.9 (2)
Br5Axx—Cu2—Br5B176.5 (2)Cu2—O5—Br5Bvii94.0 (3)
O3—Cu2—Br5Bxx94.4 (2)O5vii—O5—Br5Bvii71.4 (3)
O5vii—Cu2—Br5Bxx85.1 (2)O6vi—O5—Br5Bvii87.0 (2)
O5—Cu2—Br5Bxx86.1 (3)O6—O5—Br5Bvii146.1 (3)
Br1—Cu2—Br5Bxx93.4 (3)O3—O5—Br5Bvii111.1 (2)
Cu2vii—Cu2—Br5Bxx84.4 (2)Br1vii—O5—Br5Bvii73.0 (2)
Br5A—Cu2—Br5Bxx176.5 (2)Cu4vi—O5—Br5Bvii89.69 (19)
Br5Axx—Cu2—Br5Bxx9.1 (2)Cu4—O5—Br5Bvii142.7 (2)
Br5B—Cu2—Br5Bxx168.7 (5)Br5Bxxi—O5—Br5Bvii123.5 (4)
O3—Cu2—Cu4vi32.95 (8)Se1—O6—Cu4125.8 (2)
O5vii—Cu2—Cu4vi142.28 (12)Se1—O6—Pb1135.1 (2)
O5—Cu2—Cu4vi80.80 (16)Cu4—O6—Pb197.99 (16)
Br1—Cu2—Cu4vi104.29 (4)Se1—O6—O540.22 (15)
Cu2vii—Cu2—Cu4vi113.11 (5)Cu4—O6—O597.1 (2)
Br5A—Cu2—Cu4vi115.96 (5)Pb1—O6—O5154.6 (2)
Br5Axx—Cu2—Cu4vi56.33 (4)Se1—O6—O1171.3 (3)
Br5B—Cu2—Cu4vi123.0 (3)Cu4—O6—O146.00 (15)
Br5Bxx—Cu2—Cu4vi63.6 (2)Pb1—O6—O152.31 (15)
O3—Cu2—Cu432.95 (8)O5—O6—O1136.3 (3)
O5vii—Cu2—Cu4142.28 (12)Se1—O6—O6vi39.02 (15)
O5—Cu2—Cu480.80 (16)Cu4—O6—O6vi97.66 (12)
Br1—Cu2—Cu4104.29 (4)Pb1—O6—O6vi137.19 (10)
Cu2vii—Cu2—Cu4113.11 (5)O5—O6—O6vi59.91 (11)
Br5A—Cu2—Cu456.33 (4)O1—O6—O6vi133.37 (13)
Br5Axx—Cu2—Cu4115.96 (5)Se1—O6—O384.80 (18)
Br5B—Cu2—Cu463.6 (2)Cu4—O6—O341.01 (12)
Br5Bxx—Cu2—Cu4123.0 (3)Pb1—O6—O3138.3 (2)
Cu4vi—Cu2—Cu459.64 (4)O5—O6—O361.8 (2)
O3—Cu2—Cu131.44 (19)O1—O6—O386.98 (19)
O5vii—Cu2—Cu1158.1 (2)O6vi—O6—O362.78 (10)
O5—Cu2—Cu1125.54 (19)Se1—O6—Cu4vi68.08 (13)
Br1—Cu2—Cu160.38 (4)Cu4—O6—Cu4vi63.71 (11)
Cu2vii—Cu2—Cu1163.06 (7)Pb1—O6—Cu4vi137.90 (16)
Br5A—Cu2—Cu186.54 (5)O5—O6—Cu4vi67.45 (14)
Br5Axx—Cu2—Cu186.54 (5)O1—O6—Cu4vi103.29 (16)
Br5B—Cu2—Cu195.6 (2)O6vi—O6—Cu4vi33.95 (7)
Br5Bxx—Cu2—Cu195.6 (2)O3—O6—Cu4vi32.96 (8)
Cu4vi—Cu2—Cu153.06 (3)Se1—O6—Br2ii85.21 (16)
Cu4—Cu2—Cu153.06 (3)Cu4—O6—Br2ii139.20 (18)
O2—Cu3—O1iii178.0 (3)Pb1—O6—Br2ii63.18 (9)
O2—Cu3—O7iii95.8 (3)O5—O6—Br2ii92.22 (17)
O1iii—Cu3—O7iii86.1 (3)O1—O6—Br2ii103.40 (16)
O2—Cu3—O478.6 (3)O6vi—O6—Br2ii121.06 (7)
O1iii—Cu3—O499.5 (3)O3—O6—Br2ii148.7 (2)
O7iii—Cu3—O4174.4 (3)Cu4vi—O6—Br2ii153.29 (13)
O2—Cu3—Cu536.46 (19)Se1—O6—Br3iv76.67 (15)
O1iii—Cu3—Cu5141.55 (19)Cu4—O6—Br3iv124.04 (18)
O7iii—Cu3—Cu5132.30 (19)Pb1—O6—Br3iv70.10 (11)
O4—Cu3—Cu542.09 (19)O5—O6—Br3iv116.72 (17)
O2—Cu3—Br4viii93.30 (3)O1—O6—Br3iv105.21 (19)
O1iii—Cu3—Br4viii86.66 (3)O6vi—O6—Br3iv68.10 (7)
O7iii—Cu3—Br4viii90.78 (3)O3—O6—Br3iv120.86 (16)
O4—Cu3—Br4viii89.55 (3)Cu4vi—O6—Br3iv88.73 (10)
Cu5—Cu3—Br4viii91.99 (3)Br2ii—O6—Br3iv85.25 (10)
O2—Cu3—Br4iii93.30 (3)Se1—O6—Cu269.19 (14)
O1iii—Cu3—Br4iii86.66 (3)Cu4—O6—Cu263.14 (12)
O7iii—Cu3—Br4iii90.78 (3)Pb1—O6—Cu2152.76 (16)
O4—Cu3—Br4iii89.55 (3)O5—O6—Cu234.00 (15)
Cu5—Cu3—Br4iii91.99 (3)O1—O6—Cu2104.91 (19)
Br4viii—Cu3—Br4iii173.02 (6)O6vi—O6—Cu268.13 (7)
O2—Cu3—Cu633.36 (8)O3—O6—Cu231.91 (13)
O1iii—Cu3—Cu6147.43 (7)Cu4vi—O6—Cu253.73 (7)
O7iii—Cu3—Cu681.61 (16)Br2ii—O6—Cu2117.33 (12)
O4—Cu3—Cu693.54 (17)Br3iv—O6—Cu2136.22 (12)
Cu5—Cu3—Cu657.74 (3)Se1—O6—O6i140.98 (15)
Br4viii—Cu3—Cu6123.39 (4)Cu4—O6—O6i82.34 (12)
Br4iii—Cu3—Cu663.58 (2)Pb1—O6—O6i42.81 (10)
O2—Cu3—Cu6ix33.36 (8)O5—O6—O6i120.09 (11)
O1iii—Cu3—Cu6ix147.43 (7)O1—O6—O6i46.63 (13)
O7iii—Cu3—Cu6ix81.61 (16)O6vi—O6—O6i180.0
O4—Cu3—Cu6ix93.54 (17)O3—O6—O6i117.22 (10)
Cu5—Cu3—Cu6ix57.74 (3)Cu4vi—O6—O6i146.05 (7)
Br4viii—Cu3—Cu6ix63.58 (2)Br2ii—O6—O6i58.94 (7)
Br4iii—Cu3—Cu6ix123.39 (4)Br3iv—O6—O6i111.91 (7)
Cu6—Cu3—Cu6ix59.81 (3)Cu2—O6—O6i111.87 (7)
O2—Cu3—Cu4ix145.09 (10)Se3—O7—Cu3iii125.9 (4)
O1iii—Cu3—Cu4ix33.92 (9)Se3—O7—Pb1136.8 (3)
O7iii—Cu3—Cu4ix102.19 (17)Cu3iii—O7—Pb197.3 (3)
O4—Cu3—Cu4ix82.68 (17)Se3—O7—O939.11 (15)
Cu5—Cu3—Cu4ix118.92 (4)Cu3iii—O7—O998.2 (2)
Br4viii—Cu3—Cu4ix57.19 (3)Pb1—O7—O9146.07 (17)
Br4iii—Cu3—Cu4ix115.84 (4)Se3—O7—O9i39.11 (15)
Cu6—Cu3—Cu4ix176.20 (4)Cu3iii—O7—O9i98.2 (2)
Cu6ix—Cu3—Cu4ix120.63 (2)Pb1—O7—O9i146.07 (17)
O2—Cu3—Cu4iii145.09 (10)O9—O7—O9i59.9 (2)
O1iii—Cu3—Cu4iii33.92 (9)Se3—O7—O1171.5 (4)
O7iii—Cu3—Cu4iii102.19 (17)Cu3iii—O7—O145.59 (19)
O4—Cu3—Cu4iii82.68 (17)Pb1—O7—O151.70 (18)
Cu5—Cu3—Cu4iii118.92 (4)O9—O7—O1135.3 (2)
Br4viii—Cu3—Cu4iii115.84 (4)O9i—O7—O1135.3 (2)
Br4iii—Cu3—Cu4iii57.19 (3)Se3—O7—O2iii85.3 (3)
Cu6—Cu3—Cu4iii120.63 (2)Cu3iii—O7—O2iii40.62 (17)
Cu6ix—Cu3—Cu4iii176.20 (4)Pb1—O7—O2iii137.9 (3)
Cu4ix—Cu3—Cu4iii58.65 (4)O9—O7—O2iii63.4 (2)
O2—Cu3—Se3iii71.2 (2)O9i—O7—O2iii63.4 (2)
O1iii—Cu3—Se3iii110.75 (19)O1—O7—O2iii86.2 (3)
O7iii—Cu3—Se3iii24.61 (19)Se3—O7—Cu668.51 (18)
O4—Cu3—Se3iii149.79 (19)Cu3iii—O7—Cu663.62 (15)
Cu5—Cu3—Se3iii107.69 (5)Pb1—O7—Cu6145.47 (15)
Br4viii—Cu3—Se3iii92.13 (3)O9—O7—Cu634.57 (12)
Br4iii—Cu3—Se3iii92.13 (3)O9i—O7—Cu668.12 (17)
Cu6—Cu3—Se3iii60.76 (3)O1—O7—Cu6104.0 (2)
Cu6ix—Cu3—Se3iii60.76 (3)O2iii—O7—Cu632.75 (9)
Cu4ix—Cu3—Se3iii122.97 (4)Se3—O7—Cu6xi68.51 (18)
Cu4iii—Cu3—Se3iii122.97 (4)Cu3iii—O7—Cu6xi63.62 (15)
O1—Cu4—O3176.6 (3)Pb1—O7—Cu6xi145.47 (15)
O1—Cu4—O685.8 (2)O9—O7—Cu6xi68.12 (17)
O3—Cu4—O696.2 (2)O9i—O7—Cu6xi34.57 (12)
O1—Cu4—O8iii98.4 (2)O1—O7—Cu6xi104.0 (2)
O3—Cu4—O8iii79.9 (2)O2iii—O7—Cu6xi32.75 (9)
O6—Cu4—O8iii171.59 (19)Cu6—O7—Cu6xi53.68 (9)
O1—Cu4—Cu1135.45 (19)Se3—O7—Br4xii111.11 (15)
O3—Cu4—Cu141.91 (19)Cu3iii—O7—Br4xii56.94 (8)
O6—Cu4—Cu1136.72 (12)Pb1—O7—Br4xii91.14 (13)
O8iii—Cu4—Cu141.70 (11)O9—O7—Br4xii122.5 (2)
O1—Cu4—Br5A92.45 (16)O9i—O7—Br4xii72.70 (12)
O3—Cu4—Br5A90.12 (16)O1—O7—Br4xii65.34 (11)
O6—Cu4—Br5A92.28 (14)O2iii—O7—Br4xii67.56 (11)
O8iii—Cu4—Br5A80.32 (14)Cu6—O7—Br4xii100.01 (14)
Cu1—Cu4—Br5A97.12 (5)Cu6xi—O7—Br4xii54.43 (6)
O1—Cu4—Br490.44 (17)Se3—O7—Br4111.11 (15)
O3—Cu4—Br486.66 (17)Cu3iii—O7—Br456.94 (8)
O6—Cu4—Br497.44 (13)Pb1—O7—Br491.14 (13)
O8iii—Cu4—Br489.83 (13)O9—O7—Br472.70 (12)
Cu1—Cu4—Br474.26 (4)O9i—O7—Br4122.5 (2)
Br5A—Cu4—Br4170.04 (6)O1—O7—Br465.34 (11)
O1—Cu4—Cu4i35.51 (16)O2iii—O7—Br467.56 (11)
O3—Cu4—Cu4i146.20 (16)Cu6—O7—Br454.43 (6)
O6—Cu4—Cu4i97.66 (12)Cu6xi—O7—Br4100.01 (14)
O8iii—Cu4—Cu4i81.98 (11)Br4xii—O7—Br4113.57 (16)
Cu1—Cu4—Cu4i123.22 (2)Se3—O7—O4iii123.1 (3)
Br5A—Cu4—Cu4i58.71 (3)Cu3iii—O7—O4iii2.81 (14)
Br4—Cu4—Cu4i121.647 (19)Pb1—O7—O4iii100.1 (2)
O1—Cu4—Cu3iii34.13 (18)O9—O7—O4iii95.8 (2)
O3—Cu4—Cu3iii142.51 (18)O9i—O7—O4iii95.8 (2)
O6—Cu4—Cu3iii105.71 (13)O1—O7—O4iii48.39 (19)
O8iii—Cu4—Cu3iii81.51 (13)O2iii—O7—O4iii37.82 (17)
Cu1—Cu4—Cu3iii106.49 (4)Cu6—O7—O4iii61.20 (13)
Br5A—Cu4—Cu3iii118.37 (4)Cu6xi—O7—O4iii61.20 (13)
Br4—Cu4—Cu3iii60.97 (3)Br4xii—O7—O4iii57.15 (8)
Cu4i—Cu4—Cu3iii60.676 (19)Br4—O7—O4iii57.15 (8)
O1—Cu4—Cu4vi144.49 (16)Se2—O8—Cu1iii132.5 (3)
O3—Cu4—Cu4vi33.80 (16)Se2—O8—Cu4iii127.7 (2)
O6—Cu4—Cu4vi82.34 (12)Cu1iii—O8—Cu4iii93.91 (17)
O8iii—Cu4—Cu4vi98.02 (11)Se2—O8—O3iii174.6 (3)
Cu1—Cu4—Cu4vi56.78 (2)Cu1iii—O8—O3iii49.61 (15)
Br5A—Cu4—Cu4vi121.28 (3)Cu4iii—O8—O3iii47.93 (15)
Br4—Cu4—Cu4vi58.354 (19)Se2—O8—O8vi41.92 (15)
Cu4i—Cu4—Cu4vi180.0Cu1iii—O8—O8vi165.55 (14)
Cu3iii—Cu4—Cu4vi119.325 (19)Cu4iii—O8—O8vi98.02 (11)
O1—Cu4—Cu2150.83 (18)O3iii—O8—O8vi137.60 (14)
O3—Cu4—Cu232.41 (17)Se2—O8—O439.38 (15)
O6—Cu4—Cu283.32 (13)Cu1iii—O8—O4125.3 (2)
O8iii—Cu4—Cu289.56 (13)Cu4iii—O8—O498.2 (2)
Cu1—Cu4—Cu265.24 (4)O3iii—O8—O4135.4 (3)
Br5A—Cu4—Cu261.12 (3)O8vi—O8—O460.96 (11)
Br4—Cu4—Cu2117.75 (3)Se2—O8—O1iii88.42 (18)
Cu4i—Cu4—Cu2119.820 (19)Cu1iii—O8—O1iii129.2 (2)
Cu3iii—Cu4—Cu2170.93 (4)Cu4iii—O8—O1iii39.27 (11)
Cu4vi—Cu4—Cu260.178 (19)O3iii—O8—O1iii87.17 (19)
O1—Cu4—Se1110.71 (18)O8vi—O8—O1iii64.80 (9)
O3—Cu4—Se171.29 (18)O4—O8—O1iii64.4 (2)
O6—Cu4—Se124.93 (12)Se2—O8—Br2iii87.77 (17)
O8iii—Cu4—Se1150.40 (12)Cu1iii—O8—Br2iii45.27 (10)
Cu1—Cu4—Se1112.13 (3)Cu4iii—O8—Br2iii136.77 (16)
Br5A—Cu4—Se192.77 (5)O3iii—O8—Br2iii94.80 (16)
Br4—Cu4—Se195.12 (3)O8vi—O8—Br2iii124.67 (7)
Cu4i—Cu4—Se1118.950 (17)O4—O8—Br2iii97.20 (18)
Cu3iii—Cu4—Se1126.12 (4)O1iii—O8—Br2iii153.5 (2)
Cu4vi—Cu4—Se161.050 (17)Se2—O8—Br5Aiii107.99 (17)
Cu2—Cu4—Se162.35 (3)Cu1iii—O8—Br5Aiii111.61 (19)
O2—Cu5—O476.6 (3)Cu4iii—O8—Br5Aiii62.61 (12)
O2—Cu5—O978.57 (16)O3iii—O8—Br5Aiii73.33 (16)
O4—Cu5—O9113.62 (14)O8vi—O8—Br5Aiii67.52 (7)
O2—Cu5—O9vi78.57 (16)O4—O8—Br5Aiii121.30 (17)
O4—Cu5—O9vi113.62 (15)O1iii—O8—Br5Aiii69.78 (15)
O9—Cu5—O9vi120.0 (3)Br2iii—O8—Br5Aiii135.99 (15)
O2—Cu5—Br3180.0 (2)Se2—O8—Cu7iii100.97 (19)
O4—Cu5—Br3103.42 (19)Cu1iii—O8—Cu7iii92.67 (17)
O9—Cu5—Br3101.41 (13)Cu4iii—O8—Cu7iii98.81 (17)
O9vi—Cu5—Br3101.41 (13)O3iii—O8—Cu7iii83.45 (19)
O2—Cu5—Cu6ix37.31 (10)O8vi—O8—Cu7iii77.51 (8)
O4—Cu5—Cu6ix96.56 (16)O4—O8—Cu7iii136.82 (17)
O9—Cu5—Cu6ix98.88 (13)O1iii—O8—Cu7iii109.49 (18)
O9vi—Cu5—Cu6ix41.30 (13)Br2iii—O8—Cu7iii96.97 (13)
Br3—Cu5—Cu6ix142.67 (3)Br5Aiii—O8—Cu7iii40.62 (8)
O2—Cu5—Cu637.31 (10)Se2—O8—Cu4ix72.01 (13)
O4—Cu5—Cu696.56 (16)Cu1iii—O8—Cu4ix155.2 (2)
O9—Cu5—Cu641.30 (13)Cu4iii—O8—Cu4ix62.57 (11)
O9vi—Cu5—Cu698.88 (13)O3iii—O8—Cu4ix105.63 (18)
Br3—Cu5—Cu6142.67 (3)O8vi—O8—Cu4ix35.46 (7)
Cu6ix—Cu5—Cu663.05 (3)O4—O8—Cu4ix69.40 (14)
O2—Cu5—Cu336.1 (2)O1iii—O8—Cu4ix33.36 (8)
O4—Cu5—Cu340.53 (18)Br2iii—O8—Cu4ix159.51 (14)
O9—Cu5—Cu396.33 (13)Br5Aiii—O8—Cu4ix52.25 (7)
O9vi—Cu5—Cu396.33 (13)Cu7iii—O8—Cu4ix84.02 (11)
Br3—Cu5—Cu3143.95 (6)Se2—O8—Cu369.55 (15)
Cu6ix—Cu5—Cu362.48 (3)Cu1iii—O8—Cu3124.42 (19)
Cu6—Cu5—Cu362.48 (3)Cu4iii—O8—Cu363.53 (12)
O2—Cu5—Se296.6 (2)O3iii—O8—Cu3105.1 (2)
O4—Cu5—Se219.96 (18)O8vi—O8—Cu368.75 (7)
O9—Cu5—Se2118.60 (13)O4—O8—Cu334.65 (15)
O9vi—Cu5—Se2118.60 (13)O1iii—O8—Cu333.18 (13)
Br3—Cu5—Se283.46 (5)Br2iii—O8—Cu3122.30 (14)
Cu6ix—Cu5—Se2113.31 (4)Br5Aiii—O8—Cu3101.68 (12)
Cu6—Cu5—Se2113.31 (4)Cu7iii—O8—Cu3138.14 (14)
Cu3—Cu5—Se260.48 (4)Cu4ix—O8—Cu354.13 (7)
O2—Cu5—Se395.82 (10)Se3—O9—Cu6124.6 (2)
O4—Cu5—Se3118.97 (2)Se3—O9—Cu5141.1 (3)
O9—Cu5—Se317.26 (13)Cu6—O9—Cu594.20 (18)
O9vi—Cu5—Se3124.07 (14)Se3—O9—O2171.6 (3)
Br3—Cu5—Se384.16 (3)Cu6—O9—O246.99 (15)
Cu6ix—Cu5—Se3113.13 (4)Cu5—O9—O247.25 (15)
Cu6—Cu5—Se358.53 (2)Se3—O9—O9i39.22 (16)
Cu3—Cu5—Se3111.16 (3)Cu6—O9—O9i97.44 (12)
Se2—Cu5—Se3117.33 (2)Cu5—O9—O9i150.00 (13)
O2—Cu5—Se3xx95.82 (10)O2—O9—O9i135.76 (14)
O4—Cu5—Se3xx118.97 (2)Se3—O9—O739.13 (15)
O9—Cu5—Se3xx124.07 (14)Cu6—O9—O796.8 (2)
O9vi—Cu5—Se3xx17.26 (13)Cu5—O9—O7145.4 (2)
Br3—Cu5—Se3xx84.16 (3)O2—O9—O7134.9 (3)
Cu6ix—Cu5—Se3xx58.53 (2)O9i—O9—O760.06 (12)
Cu6—Cu5—Se3xx113.13 (4)Se3—O9—O2iii84.79 (19)
Cu3—Cu5—Se3xx111.16 (3)Cu6—O9—O2iii39.86 (12)
Se2—Cu5—Se3xx117.33 (2)Cu5—O9—O2iii134.0 (2)
Se3—Cu5—Se3xx122.04 (5)O2—O9—O2iii86.84 (17)
O2—Cu5—Br4viii56.38 (11)O9i—O9—O2iii63.19 (10)
O4—Cu5—Br4viii55.73 (10)O7—O9—O2iii62.8 (2)
O9—Cu5—Br4viii134.74 (13)Se3—O9—Br399.24 (19)
O9vi—Cu5—Br4viii59.15 (13)Cu6—O9—Br3135.97 (18)
Br3—Cu5—Br4viii123.64 (3)Cu5—O9—Br341.82 (9)
Cu6ix—Cu5—Br4viii47.89 (2)O2—O9—Br389.08 (17)
Cu6—Cu5—Br4viii93.68 (4)O9i—O9—Br3121.93 (7)
Cu3—Cu5—Br4viii44.698 (18)O7—O9—Br3118.7 (2)
Se2—Cu5—Br4viii67.62 (3)O2iii—O9—Br3174.87 (17)
Se3—Cu5—Br4viii151.95 (4)Se3—O9—Cu6xi68.09 (14)
Se3xx—Cu5—Br4viii69.72 (3)Cu6—O9—Cu6xi63.09 (11)
O2iii—Cu6—O2180.0 (4)Cu5—O9—Cu6xi145.1 (2)
O2iii—Cu6—O9iii82.5 (2)O2—O9—Cu6xi104.84 (18)
O2—Cu6—O9iii97.5 (2)O9i—O9—Cu6xi34.35 (7)
O2iii—Cu6—O997.5 (2)O7—O9—Cu6xi67.55 (14)
O2—Cu6—O982.5 (2)O2iii—O9—Cu6xi32.60 (9)
O9iii—Cu6—O9180.0Br3—O9—Cu6xi152.22 (15)
O2iii—Cu6—Cu5141.99 (19)Se3—O9—O4141.3 (2)
O2—Cu6—Cu538.01 (19)Cu6—O9—O483.94 (18)
O9iii—Cu6—Cu5135.50 (12)Cu5—O9—O432.86 (11)
O9—Cu6—Cu544.50 (12)O2—O9—O444.93 (19)
O2iii—Cu6—Cu5iii38.01 (19)O9i—O9—O4121.46 (9)
O2—Cu6—Cu5iii141.99 (19)O7—O9—O4178.3 (2)
O9iii—Cu6—Cu5iii44.50 (12)O2iii—O9—O4118.4 (2)
O9—Cu6—Cu5iii135.50 (12)Br3—O9—O459.96 (13)
Cu5—Cu6—Cu5iii180.0Cu6xi—O9—O4114.16 (15)
O2iii—Cu6—Cu6xi33.44 (16)Se3—O9—Cu3iii68.24 (15)
O2—Cu6—Cu6xi146.56 (16)Cu6—O9—Cu3iii62.52 (12)
O9iii—Cu6—Cu6xi97.45 (12)Cu5—O9—Cu3iii140.97 (19)
O9—Cu6—Cu6xi82.55 (12)O2—O9—Cu3iii104.1 (2)
Cu5—Cu6—Cu6xi121.527 (15)O9i—O9—Cu3iii68.15 (7)
Cu5iii—Cu6—Cu6xi58.474 (15)O7—O9—Cu3iii34.24 (15)
O2iii—Cu6—Cu6ix146.56 (16)O2iii—O9—Cu3iii32.48 (14)
O2—Cu6—Cu6ix33.44 (16)Br3—O9—Cu3iii146.76 (15)
O9iii—Cu6—Cu6ix82.55 (12)Cu6xi—O9—Cu3iii53.32 (7)
O9—Cu6—Cu6ix97.45 (12)O4—O9—Cu3iii146.42 (18)
Cu5—Cu6—Cu6ix58.473 (15)Se3—O9—O9vi140.78 (16)
Cu5iii—Cu6—Cu6ix121.526 (15)Cu6—O9—O9vi82.55 (12)
Cu6xi—Cu6—Cu6ix180.0Cu5—O9—O9vi30.00 (13)
O2iii—Cu6—Cu3iii33.63 (18)O2—O9—O9vi44.24 (14)
O2—Cu6—Cu3iii146.37 (18)O9i—O9—O9vi180.0
O9iii—Cu6—Cu3iii96.56 (14)O7—O9—O9vi119.94 (12)
O9—Cu6—Cu3iii83.44 (14)O2iii—O9—O9vi116.81 (10)
Cu5—Cu6—Cu3iii120.22 (3)Br3—O9—O9vi58.08 (7)
Cu5iii—Cu6—Cu3iii59.78 (3)Cu6xi—O9—O9vi145.65 (7)
Cu6xi—Cu6—Cu3iii60.094 (14)O4—O9—O9vi58.54 (9)
Cu6ix—Cu6—Cu3iii119.906 (14)Cu3iii—O9—O9vi111.85 (7)
Symmetry codes: (i) x, y, z; (ii) x+1/2, y+1/2, z; (iii) x1/2, y1/2, z; (iv) x, y1, z; (v) x, y, z; (vi) x, y1, z; (vii) x, y1, z+1; (viii) x1/2, y3/2, z; (ix) x1/2, y1/2, z; (x) x, y, z1; (xi) x1/2, y+1/2, z; (xii) x, y+1, z; (xiii) x1/2, y1/2, z+1; (xiv) x1/2, y1/2, z+1; (xv) x, y, z+1; (xvi) x, y1, z+1; (xvii) x1/2, y1/2, z; (xviii) x1/2, y1/2, z; (xix) x, y, z; (xx) x, y1, z; (xxi) x, y, z+1.
(CuPbOXO3) top
Crystal data top
Br1.83Cu3.17O5.33Pb0.67Se1.33F(000) = 3584
Mr = 676.45Dx = 5.097 Mg m3
Monoclinic, C2/mMo Kα radiation, λ = 0.71073 Å
a = 38.0763 (16) ÅCell parameters from 2472 reflections
b = 6.2308 (3) Åθ = 1.1–32.3°
c = 11.1897 (5) ŵ = 34.03 mm1
β = 94.955 (3)°T = 296 K
V = 2644.8 (2) Å3Prism
Z = 12
Data collection top
Bruker Apex 2 Duo
diffractometer
θmax = 32.3°, θmin = 1.1°
18960 measured reflectionsh = 5656
5049 independent reflectionsk = 99
3582 reflections with I > 2σ(I)l = 1516
Rint = 0.064
Refinement top
Refinement on F20 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) = 0.093Δρmax = 4.11 e Å3
S = 1.00Δρmin = 3.54 e Å3
5049 reflectionsExtinction correction: SHELXL-2014/7 (Sheldrick 2014, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
214 parametersExtinction coefficient: 0.000085 (15)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Pb10.04353 (2)0.50000.26118 (4)0.01191 (9)
Pb20.20127 (2)0.50000.62893 (4)0.01320 (10)
Br10.00594 (7)0.50000.0207 (2)0.0202 (5)0.5
Cu10.06367 (9)0.50000.0584 (3)0.0362 (8)0.5
Cu20.16856 (5)0.00000.4565 (2)0.0469 (5)
Br20.00072 (3)0.00000.68053 (11)0.0194 (2)
Br30.25665 (3)0.50000.86217 (12)0.0347 (3)
Br40.12242 (3)0.50000.05420 (10)0.0196 (2)
Br50.10986 (3)0.00000.43612 (10)0.0195 (2)
Br60.22532 (3)0.00000.52599 (11)0.0215 (2)
Se10.19515 (3)1.00000.82239 (9)0.0113 (2)
Se20.45295 (3)0.50000.92751 (9)0.01042 (19)
Se30.05131 (3)0.50000.60819 (9)0.0110 (2)
Se40.19046 (3)0.50000.28878 (9)0.0107 (2)
Cu30.12546 (2)0.25779 (14)0.70509 (8)0.01187 (18)
Cu40.11765 (2)0.25322 (14)0.19156 (8)0.01179 (18)
Cu50.38056 (3)0.50001.05605 (12)0.0141 (3)
Cu60.06035 (3)0.00000.73387 (13)0.0154 (3)
Cu70.12075 (3)0.50000.44791 (11)0.0113 (2)
Cu80.31817 (4)0.50000.87619 (14)0.0255 (3)
O10.13836 (18)0.50000.6149 (6)0.0099 (14)
O20.13126 (19)0.00000.1118 (6)0.0114 (14)
O30.38972 (19)0.50001.2250 (7)0.0130 (15)
O40.10406 (17)0.50000.2801 (6)0.0076 (13)
O50.06938 (19)0.50000.4758 (7)0.0153 (15)
O60.1723 (2)0.50000.4230 (7)0.0198 (17)
O70.43209 (18)0.50001.0542 (6)0.0119 (14)
O80.17591 (14)0.7894 (8)0.7452 (5)0.0161 (11)
O90.43309 (13)0.7114 (8)0.8496 (5)0.0143 (11)
O100.07295 (13)0.7065 (8)0.6817 (5)0.0169 (11)
O110.16943 (14)0.2864 (9)0.2227 (6)0.0220 (13)
O120.1718 (2)1.00000.9454 (7)0.0192 (17)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.01093 (18)0.01161 (19)0.01313 (19)0.0000.00064 (14)0.000
Pb20.01115 (18)0.0149 (2)0.01359 (19)0.0000.00114 (14)0.000
Br10.0202 (17)0.0188 (10)0.0202 (17)0.0000.0072 (10)0.000
Cu10.0225 (17)0.052 (2)0.034 (2)0.0000.0008 (15)0.000
Cu20.0237 (9)0.0494 (12)0.0658 (15)0.0000.0071 (9)0.000
Br20.0109 (5)0.0201 (5)0.0272 (6)0.0000.0015 (4)0.000
Br30.0117 (5)0.0697 (10)0.0219 (6)0.0000.0027 (5)0.000
Br40.0261 (6)0.0149 (5)0.0179 (5)0.0000.0020 (4)0.000
Br50.0248 (6)0.0133 (5)0.0209 (6)0.0000.0041 (5)0.000
Br60.0181 (5)0.0238 (6)0.0234 (6)0.0000.0058 (5)0.000
Se10.0092 (5)0.0133 (5)0.0114 (5)0.0000.0005 (4)0.000
Se20.0099 (5)0.0098 (5)0.0113 (5)0.0000.0001 (4)0.000
Se30.0091 (4)0.0101 (5)0.0138 (5)0.0000.0004 (4)0.000
Se40.0095 (5)0.0105 (5)0.0121 (5)0.0000.0001 (4)0.000
Cu30.0106 (4)0.0104 (4)0.0146 (4)0.0002 (3)0.0011 (3)0.0025 (3)
Cu40.0110 (4)0.0104 (4)0.0138 (4)0.0003 (3)0.0002 (3)0.0024 (3)
Cu50.0115 (6)0.0210 (6)0.0099 (6)0.0000.0009 (5)0.000
Cu60.0109 (6)0.0116 (6)0.0235 (7)0.0000.0004 (5)0.000
Cu70.0108 (6)0.0124 (6)0.0107 (6)0.0000.0006 (5)0.000
Cu80.0104 (6)0.0501 (10)0.0157 (7)0.0000.0001 (5)0.000
O10.008 (3)0.012 (3)0.009 (3)0.0000.001 (3)0.000
O20.018 (4)0.008 (3)0.009 (3)0.0000.005 (3)0.000
O30.011 (3)0.012 (4)0.016 (4)0.0000.000 (3)0.000
O40.009 (3)0.007 (3)0.008 (3)0.0000.001 (3)0.000
O50.016 (4)0.016 (4)0.014 (4)0.0000.002 (3)0.000
O60.009 (4)0.033 (5)0.017 (4)0.0000.002 (3)0.000
O70.012 (3)0.011 (3)0.013 (4)0.0000.003 (3)0.000
O80.016 (3)0.014 (3)0.018 (3)0.001 (2)0.001 (2)0.002 (2)
O90.009 (2)0.012 (2)0.022 (3)0.001 (2)0.001 (2)0.002 (2)
O100.010 (2)0.015 (3)0.024 (3)0.003 (2)0.003 (2)0.006 (2)
O110.008 (2)0.020 (3)0.038 (4)0.003 (2)0.001 (2)0.015 (3)
O120.016 (4)0.030 (5)0.012 (4)0.0000.007 (3)0.000
Geometric parameters (Å, º) top
Pb1—O42.296 (7)Se2—O9ix1.719 (5)
Pb1—O9i2.398 (5)Se2—Br2xviii3.4044 (15)
Pb1—O9ii2.398 (5)Se2—Br1xi3.6000 (17)
Pb1—O52.516 (8)Se2—Br1i3.6000 (16)
Pb1—Br1iii3.149 (3)Se3—O5viii1.686 (7)
Pb1—Br13.349 (3)Se3—O101.701 (5)
Pb1—Cu4iv3.3636 (9)Se3—O10ix1.701 (5)
Pb1—Cu43.3636 (9)Se4—O111.690 (5)
Pb1—Cu7v3.4568 (14)Se4—O11iv1.690 (5)
Pb1—Br2vi3.6016 (6)Se4—O6v1.708 (8)
Pb1—Br2vii3.6016 (6)Se4—Br6xi3.6650 (16)
Pb1—Cu13.722 (4)Cu3—O3xiii1.899 (4)
Pb2—O1viii2.387 (7)Cu3—O11.903 (4)
Pb2—O62.468 (8)Cu3—O8v1.957 (5)
Pb2—O82.468 (5)Cu3—O10v2.006 (5)
Pb2—O8ix2.468 (5)Cu3—Cu62.9947 (14)
Pb2—Br33.2106 (14)Cu3—Cu3iv3.0183 (17)
Pb2—Br6i3.4140 (12)Cu3—Br4xix3.0983 (14)
Pb2—Cu3viii3.4293 (9)Cu3—Pb2v3.4294 (9)
Pb2—Cu3x3.4293 (9)Cu4—O21.907 (4)
Pb2—Br63.4717 (5)Cu4—O41.924 (4)
Pb2—Br6viii3.4717 (5)Cu4—O9i1.964 (5)
Pb2—Cu73.5256 (14)Cu4—O111.983 (5)
Br1—Br1iii0.674 (4)Cu4—Cu8i3.0589 (15)
Br1—Cu12.274 (4)Cu5—O31.892 (8)
Br1—Cu1iii2.866 (4)Cu5—O2i1.893 (7)
Br1—Pb1iii3.149 (3)Cu5—O71.964 (7)
Br1—Se2xi3.6001 (16)Cu5—O12xiv1.991 (8)
Br1—Se2i3.6001 (16)Cu5—Cu82.978 (2)
Br1—Br44.483 (3)Cu5—Br4i3.1175 (2)
Cu1—Br42.233 (4)Cu5—Br4xi3.1175 (2)
Cu1—Br1iii2.866 (4)Cu6—O3xiii1.917 (7)
Cu2—Br52.227 (2)Cu6—O10ix1.991 (5)
Cu2—Br62.233 (2)Cu6—O10v1.991 (5)
Br2—Cu62.3504 (17)Cu6—O7xiii2.364 (7)
Br2—Se2xii3.4045 (15)Cu6—Cu3x2.9947 (14)
Br2—Pb1vi3.6017 (6)Cu7—O4viii1.930 (7)
Br2—Pb1vii3.6017 (6)Cu7—O1viii1.930 (7)
Br2—Br2vi4.045 (2)Cu7—O62.005 (7)
Br2—Br5vi4.2469 (17)Cu7—O5viii2.007 (7)
Br3—Cu82.3340 (19)Cu7—Br5viii3.1441 (3)
Br3—Br3xiii4.4438 (19)Cu7—Pb1viii3.4568 (14)
Br3—Br3xiv4.4438 (19)Cu8—O2i1.918 (7)
Br3—Br6i4.4555 (18)Cu8—O12xiv2.000 (8)
Br4—Cu3xv3.0983 (14)Cu8—O11i2.173 (5)
Br4—Cu3xvi3.0983 (14)Cu8—O11xx2.173 (5)
Br4—Cu5i3.1175 (2)Cu8—Cu4xx3.0589 (15)
Br4—Cu5xi3.1175 (2)Cu8—Cu4i3.0589 (15)
Br4—Cu4iv3.1695 (14)O1—Cu3iv1.903 (4)
Br4—Cu43.1696 (14)O1—Cu7v1.930 (7)
Br5—Cu73.1441 (3)O1—Pb2v2.387 (7)
Br5—Cu7v3.1441 (3)O2—Cu5i1.893 (7)
Br5—Cu43.1946 (13)O2—Cu4x1.907 (4)
Br5—Cu4x3.1946 (13)O2—Cu8i1.919 (7)
Br5—Cu33.4180 (14)O3—Cu3xxi1.899 (4)
Br5—Cu3x3.4180 (14)O3—Cu3xiii1.899 (4)
Br5—Br2vi4.2469 (17)O3—Cu6xiii1.917 (7)
Br5—Pb1viii4.3661 (9)O4—Cu4iv1.924 (4)
Br5—Br64.4241 (18)O4—Cu7v1.930 (7)
Br6—Pb2i3.4140 (12)O5—Se3v1.686 (7)
Br6—Pb2v3.4717 (5)O5—Cu7v2.007 (7)
Br6—Se1v3.6023 (15)O6—Se4viii1.708 (8)
Br6—Se4xi3.6651 (16)O7—Cu6xiii2.364 (7)
Br6—Br6xi3.7102 (12)O8—Cu3viii1.957 (5)
Br6—Br6i3.7102 (12)O9—Cu4i1.964 (5)
Br6—Br3i4.4555 (18)O9—Pb1i2.398 (5)
Se1—O81.702 (5)O10—Cu6viii1.991 (5)
Se1—O8xvii1.702 (5)O10—Cu3viii2.006 (5)
Se1—O121.703 (7)O11—Cu8i2.173 (5)
Se1—Br6viii3.6023 (15)O12—Cu5xiv1.991 (8)
Se2—O71.684 (7)O12—Cu8xiv2.000 (8)
Se2—O91.719 (5)
O4—Pb1—O9i68.49 (15)Pb2i—Br6—Se4xi64.68 (3)
O4—Pb1—O9ii68.49 (16)Pb2—Br6—Se4xi93.17 (3)
O9i—Pb1—O9ii97.1 (2)Pb2v—Br6—Se4xi93.17 (2)
O4—Pb1—O566.8 (2)Se1v—Br6—Se4xi79.19 (3)
O9i—Pb1—O5111.19 (16)Cu2—Br6—Br6xi115.69 (5)
O9ii—Pb1—O5111.19 (16)Pb2i—Br6—Br6xi58.15 (3)
O4—Pb1—Br1iii126.90 (17)Pb2—Br6—Br6xi163.18 (6)
O9i—Pb1—Br1iii77.27 (13)Pb2v—Br6—Br6xi56.648 (15)
O9ii—Pb1—Br1iii77.27 (13)Se1v—Br6—Br6xi110.52 (4)
O5—Pb1—Br1iii166.35 (17)Se4xi—Br6—Br6xi70.02 (4)
O4—Pb1—Br1115.52 (17)Cu2—Br6—Br6i115.69 (5)
O9i—Pb1—Br170.18 (13)Pb2i—Br6—Br6i58.15 (3)
O9ii—Pb1—Br170.18 (13)Pb2—Br6—Br6i56.648 (15)
O5—Pb1—Br1177.73 (17)Pb2v—Br6—Br6i163.18 (6)
Br1iii—Pb1—Br111.38 (8)Se1v—Br6—Br6i110.52 (4)
O4—Pb1—Cu4iv33.48 (9)Se4xi—Br6—Br6i70.02 (4)
O9i—Pb1—Cu4iv82.34 (12)Br6xi—Br6—Br6i114.21 (6)
O9ii—Pb1—Cu4iv35.05 (12)Cu2—Br6—Br57.22 (6)
O5—Pb1—Cu4iv87.38 (15)Pb2i—Br6—Br5136.52 (4)
Br1iii—Pb1—Cu4iv104.71 (4)Pb2—Br6—Br577.88 (2)
Br1—Pb1—Cu4iv94.64 (4)Pb2v—Br6—Br577.88 (2)
O4—Pb1—Cu433.47 (9)Se1v—Br6—Br579.61 (3)
O9i—Pb1—Cu435.05 (12)Se4xi—Br6—Br5158.80 (4)
O9ii—Pb1—Cu482.34 (12)Br6xi—Br6—Br5118.11 (4)
O5—Pb1—Cu487.38 (15)Br6i—Br6—Br5118.11 (4)
Br1iii—Pb1—Cu4104.72 (4)Cu2—Br6—Br3i83.47 (7)
Br1—Pb1—Cu494.64 (4)Pb2i—Br6—Br3i45.83 (2)
Cu4iv—Pb1—Cu454.40 (3)Pb2—Br6—Br3i113.00 (2)
O4—Pb1—Cu7v31.76 (16)Pb2v—Br6—Br3i113.00 (2)
O9i—Pb1—Cu7v88.75 (13)Se1v—Br6—Br3i170.31 (4)
O9ii—Pb1—Cu7v88.75 (13)Se4xi—Br6—Br3i110.51 (3)
O5—Pb1—Cu7v34.99 (16)Br6xi—Br6—Br3i74.00 (4)
Br1iii—Pb1—Cu7v158.66 (5)Br6i—Br6—Br3i74.00 (4)
Br1—Pb1—Cu7v147.28 (5)Br5—Br6—Br3i90.69 (3)
Cu4iv—Pb1—Cu7v56.85 (2)O8—Se1—O8xvii100.9 (4)
Cu4—Pb1—Cu7v56.85 (2)O8—Se1—O12100.3 (2)
O4—Pb1—Br2vi116.72 (4)O8xvii—Se1—O12100.3 (2)
O9i—Pb1—Br2vi68.84 (12)O8—Se1—Br6viii71.95 (18)
O9ii—Pb1—Br2vi159.40 (13)O8xvii—Se1—Br6viii71.95 (18)
O5—Pb1—Br2vi88.45 (8)O12—Se1—Br6viii167.1 (3)
Br1iii—Pb1—Br2vi84.73 (3)O7—Se2—O9102.0 (2)
Br1—Pb1—Br2vi90.41 (3)O7—Se2—O9ix102.0 (2)
Cu4iv—Pb1—Br2vi147.06 (2)O9—Se2—O9ix100.1 (4)
Cu4—Pb1—Br2vi92.77 (2)O7—Se2—Br2xviii177.0 (3)
Cu7v—Pb1—Br2vi105.38 (2)O9—Se2—Br2xviii79.88 (17)
O4—Pb1—Br2vii116.72 (4)O9ix—Se2—Br2xviii79.88 (17)
O9i—Pb1—Br2vii159.40 (13)O7—Se2—Br1xi88.92 (13)
O9ii—Pb1—Br2vii68.84 (12)O9—Se2—Br1xi166.28 (19)
O5—Pb1—Br2vii88.45 (8)O9ix—Se2—Br1xi69.19 (18)
Br1iii—Pb1—Br2vii84.73 (3)Br2xviii—Se2—Br1xi89.56 (4)
Br1—Pb1—Br2vii90.41 (3)O7—Se2—Br1i88.92 (13)
Cu4iv—Pb1—Br2vii92.77 (2)O9—Se2—Br1i69.19 (18)
Cu4—Pb1—Br2vii147.06 (2)O9ix—Se2—Br1i166.28 (19)
Cu7v—Pb1—Br2vii105.38 (2)Br2xviii—Se2—Br1i89.56 (4)
Br2vi—Pb1—Br2vii119.76 (3)Br1xi—Se2—Br1i119.85 (9)
O4—Pb1—Cu178.47 (17)O5viii—Se3—O10102.0 (2)
O9i—Pb1—Cu152.19 (13)O5viii—Se3—O10ix102.0 (2)
O9ii—Pb1—Cu152.19 (13)O10—Se3—O10ix98.3 (4)
O5—Pb1—Cu1145.22 (17)O11—Se4—O11iv103.9 (4)
Br1iii—Pb1—Cu148.43 (7)O11—Se4—O6v99.9 (3)
Br1—Pb1—Cu137.05 (7)O11iv—Se4—O6v99.9 (3)
Cu4iv—Pb1—Cu162.02 (5)O11—Se4—Br6xi127.3 (2)
Cu4—Pb1—Cu162.02 (5)O11iv—Se4—Br6xi127.3 (2)
Cu7v—Pb1—Cu1110.23 (6)O6v—Se4—Br6xi84.5 (3)
Br2vi—Pb1—Cu1107.94 (3)O3xiii—Cu3—O1172.3 (3)
Br2vii—Pb1—Cu1107.94 (3)O3xiii—Cu3—O8v96.1 (3)
O1viii—Pb2—O664.7 (2)O1—Cu3—O8v87.0 (3)
O1viii—Pb2—O866.33 (16)O3xiii—Cu3—O10v79.2 (3)
O6—Pb2—O8109.16 (17)O1—Cu3—O10v98.2 (3)
O1viii—Pb2—O8ix66.33 (16)O8v—Cu3—O10v173.8 (2)
O6—Pb2—O8ix109.15 (17)O3xiii—Cu3—Cu638.5 (2)
O8—Pb2—O8ix93.9 (2)O1—Cu3—Cu6137.4 (2)
O1viii—Pb2—Br3129.66 (17)O8v—Cu3—Cu6134.45 (16)
O6—Pb2—Br3165.62 (17)O10v—Cu3—Cu641.28 (15)
O8—Pb2—Br380.27 (13)O3xiii—Cu3—Cu3iv147.78 (18)
O8ix—Pb2—Br380.27 (13)O1—Cu3—Cu3iv37.53 (16)
O1viii—Pb2—Br6i145.86 (17)O8v—Cu3—Cu3iv98.64 (15)
O6—Pb2—Br6i81.15 (17)O10v—Cu3—Cu3iv83.63 (15)
O8—Pb2—Br6i129.97 (12)Cu6—Cu3—Cu3iv122.44 (2)
O8ix—Pb2—Br6i129.97 (12)O3xiii—Cu3—Br4xix91.0 (2)
Br3—Pb2—Br6i84.47 (3)O1—Cu3—Br4xix96.04 (17)
O1viii—Pb2—Cu3viii32.32 (10)O8v—Cu3—Br4xix89.05 (16)
O6—Pb2—Cu3viii85.04 (15)O10v—Cu3—Br4xix86.99 (16)
O8—Pb2—Cu3viii34.06 (12)Cu6—Cu3—Br4xix94.26 (4)
O8ix—Pb2—Cu3viii79.31 (12)Cu3iv—Cu3—Br4xix60.850 (19)
Br3—Pb2—Cu3viii107.81 (3)O3xiii—Cu3—Br585.9 (2)
Br6i—Pb2—Cu3viii150.437 (19)O1—Cu3—Br586.51 (18)
O1viii—Pb2—Cu3x32.32 (10)O8v—Cu3—Br5102.93 (16)
O6—Pb2—Cu3x85.04 (15)O10v—Cu3—Br580.91 (16)
O8—Pb2—Cu3x79.31 (12)Cu6—Cu3—Br576.12 (4)
O8ix—Pb2—Cu3x34.06 (12)Cu3iv—Cu3—Br5118.031 (17)
Br3—Pb2—Cu3x107.81 (3)Br4xix—Cu3—Br5167.88 (4)
Br6i—Pb2—Cu3x150.437 (19)O3xiii—Cu3—Pb2v140.1 (2)
Cu3viii—Pb2—Cu3x52.22 (3)O1—Cu3—Pb2v42.1 (2)
O1viii—Pb2—Br6105.67 (6)O8v—Cu3—Pb2v44.96 (15)
O6—Pb2—Br678.46 (7)O10v—Cu3—Pb2v140.31 (15)
O8—Pb2—Br6163.08 (12)Cu6—Cu3—Pb2v170.12 (4)
O8ix—Pb2—Br669.25 (12)Cu3iv—Cu3—Pb2v63.891 (15)
Br3—Pb2—Br695.52 (2)Br4xix—Cu3—Pb2v95.57 (3)
Br6i—Pb2—Br665.202 (18)Br5—Cu3—Pb2v94.24 (3)
Cu3viii—Pb2—Br6136.81 (3)O2—Cu4—O4176.9 (2)
Cu3x—Pb2—Br686.52 (2)O2—Cu4—O9i94.7 (3)
O1viii—Pb2—Br6viii105.67 (6)O4—Cu4—O9i85.6 (2)
O6—Pb2—Br6viii78.46 (7)O2—Cu4—O1182.1 (3)
O8—Pb2—Br6viii69.25 (12)O4—Cu4—O1197.7 (2)
O8ix—Pb2—Br6viii163.08 (12)O9i—Cu4—O11176.2 (2)
Br3—Pb2—Br6viii95.52 (2)O2—Cu4—Cu8i37.0 (2)
Br6i—Pb2—Br6viii65.201 (18)O4—Cu4—Cu8i142.7 (2)
Cu3viii—Pb2—Br6viii86.52 (2)O9i—Cu4—Cu8i131.62 (15)
Cu3x—Pb2—Br6viii136.81 (3)O11—Cu4—Cu8i45.08 (15)
Br6—Pb2—Br6viii127.63 (4)O2—Cu4—Br487.52 (18)
O1viii—Pb2—Cu731.17 (17)O4—Cu4—Br495.58 (16)
O6—Pb2—Cu733.55 (17)O9i—Cu4—Br489.42 (16)
O8—Pb2—Cu786.70 (13)O11—Cu4—Br488.34 (19)
O8ix—Pb2—Cu786.70 (13)Cu8i—Cu4—Br485.89 (4)
Br3—Pb2—Cu7160.83 (3)O2—Cu4—Br592.38 (18)
Br6i—Pb2—Cu7114.70 (3)O4—Cu4—Br584.53 (16)
Cu3viii—Pb2—Cu755.52 (2)O9i—Cu4—Br588.46 (16)
Cu3x—Pb2—Cu755.52 (2)O11—Cu4—Br593.76 (19)
Br6—Pb2—Cu792.90 (2)Cu8i—Cu4—Br595.32 (4)
Br6viii—Pb2—Cu792.90 (2)Br4—Cu4—Br5177.87 (4)
Br1iii—Br1—Cu1147.6 (6)O2—Cu4—Pb1139.0 (2)
Br1iii—Br1—Cu1iii25.2 (5)O4—Cu4—Pb141.17 (19)
Cu1—Br1—Cu1iii172.75 (13)O9i—Cu4—Pb144.52 (15)
Br1iii—Br1—Pb1iii101.5 (5)O11—Cu4—Pb1138.84 (16)
Cu1—Br1—Pb1iii110.96 (13)Cu8i—Cu4—Pb1175.87 (4)
Cu1iii—Br1—Pb1iii76.29 (10)Br4—Cu4—Pb195.24 (3)
Br1iii—Br1—Pb167.2 (5)Br5—Cu4—Pb183.43 (3)
Cu1—Br1—Pb180.42 (13)O3—Cu5—O2i176.9 (3)
Cu1iii—Br1—Pb192.33 (10)O3—Cu5—O785.0 (3)
Pb1iii—Br1—Pb1168.62 (8)O2i—Cu5—O798.2 (3)
Br1iii—Br1—Se2xi95.9 (3)O3—Cu5—O12xiv96.1 (3)
Cu1—Br1—Se2xi69.56 (6)O2i—Cu5—O12xiv80.8 (3)
Cu1iii—Br1—Se2xi107.53 (5)O7—Cu5—O12xiv178.9 (3)
Pb1iii—Br1—Se2xi117.42 (5)O3—Cu5—Cu8138.0 (2)
Pb1—Br1—Se2xi65.64 (5)O2i—Cu5—Cu838.9 (2)
Br1iii—Br1—Se2i95.9 (3)O7—Cu5—Cu8137.1 (2)
Cu1—Br1—Se2i69.56 (6)O12xiv—Cu5—Cu841.9 (2)
Cu1iii—Br1—Se2i107.53 (5)O3—Cu5—Br4i90.58 (3)
Pb1iii—Br1—Se2i117.42 (5)O2i—Cu5—Br4i89.31 (3)
Pb1—Br1—Se2i65.64 (5)O7—Cu5—Br4i92.05 (3)
Se2xi—Br1—Se2i119.85 (9)O12xiv—Cu5—Br4i87.95 (3)
Br1iii—Br1—Br4141.7 (6)Cu8—Cu5—Br4i88.23 (3)
Cu1—Br1—Br45.88 (10)O3—Cu5—Br4xi90.58 (3)
Cu1iii—Br1—Br4166.87 (12)O2i—Cu5—Br4xi89.31 (3)
Pb1iii—Br1—Br4116.84 (6)O7—Cu5—Br4xi92.05 (3)
Pb1—Br1—Br474.54 (6)O12xiv—Cu5—Br4xi87.95 (3)
Se2xi—Br1—Br467.40 (4)Cu8—Cu5—Br4xi88.23 (3)
Se2i—Br1—Br467.40 (4)Br4i—Cu5—Br4xi175.83 (7)
Br4—Cu1—Br1168.1 (2)O3xiii—Cu6—O10ix79.12 (17)
Br4—Cu1—Br1iii160.88 (18)O3xiii—Cu6—O10v79.12 (17)
Br1—Cu1—Br1iii7.25 (13)O10ix—Cu6—O10v133.5 (3)
Br4—Cu1—Pb1105.59 (13)O3xiii—Cu6—Br2179.2 (2)
Br1—Cu1—Pb162.53 (11)O10ix—Cu6—Br2100.59 (15)
Br1iii—Cu1—Pb155.29 (9)O10v—Cu6—Br2100.59 (15)
Br5—Cu2—Br6165.54 (13)O3xiii—Cu6—O7xiii74.1 (3)
Cu6—Br2—Se2xii111.38 (6)O10ix—Cu6—O7xiii106.40 (17)
Cu6—Br2—Pb1vi114.04 (2)O10v—Cu6—O7xiii106.40 (17)
Se2xii—Br2—Pb1vi65.081 (18)Br2—Cu6—O7xiii106.67 (18)
Cu6—Br2—Pb1vii114.04 (2)O3xiii—Cu6—Cu338.07 (11)
Se2xii—Br2—Pb1vii65.081 (18)O10ix—Cu6—Cu3103.80 (15)
Pb1vi—Br2—Pb1vii119.76 (3)O10v—Cu6—Cu341.67 (15)
Cu6—Br2—Br2vi98.92 (5)Br2—Cu6—Cu3141.52 (4)
Se2xii—Br2—Br2vi149.70 (5)O7xiii—Cu6—Cu394.46 (15)
Pb1vi—Br2—Br2vi103.08 (3)O3xiii—Cu6—Cu3x38.07 (11)
Pb1vii—Br2—Br2vi103.08 (3)O10ix—Cu6—Cu3x41.68 (15)
Cu6—Br2—Br5vi176.82 (6)O10v—Cu6—Cu3x103.80 (15)
Se2xii—Br2—Br5vi71.80 (3)Br2—Cu6—Cu3x141.52 (4)
Pb1vi—Br2—Br5vi67.015 (18)O7xiii—Cu6—Cu3x94.45 (15)
Pb1vii—Br2—Br5vi67.015 (18)Cu3—Cu6—Cu3x64.87 (4)
Br2vi—Br2—Br5vi77.90 (4)O4viii—Cu7—O1viii178.9 (3)
Cu8—Br3—Pb2129.76 (6)O4viii—Cu7—O696.2 (3)
Cu8—Br3—Br3xiii97.31 (5)O1viii—Cu7—O682.7 (3)
Pb2—Br3—Br3xiii117.26 (4)O4viii—Cu7—O5viii84.7 (3)
Cu8—Br3—Br3xiv97.31 (5)O1viii—Cu7—O5viii96.4 (3)
Pb2—Br3—Br3xiv117.26 (4)O6—Cu7—O5viii179.0 (3)
Br3xiii—Br3—Br3xiv89.03 (5)O4viii—Cu7—Br585.87 (4)
Cu8—Br3—Br6i80.06 (5)O1viii—Cu7—Br594.25 (4)
Pb2—Br3—Br6i49.70 (2)O6—Cu7—Br596.96 (3)
Br3xiii—Br3—Br6i135.49 (2)O5viii—Cu7—Br583.10 (3)
Br3xiv—Br3—Br6i135.49 (2)O4viii—Cu7—Br5viii85.87 (4)
Cu1—Br4—Cu3xv95.41 (9)O1viii—Cu7—Br5viii94.25 (4)
Cu1—Br4—Cu3xvi95.41 (9)O6—Cu7—Br5viii96.96 (3)
Cu3xv—Br4—Cu3xvi58.30 (4)O5viii—Cu7—Br5viii83.10 (3)
Cu1—Br4—Cu5i87.94 (3)Br5—Cu7—Br5viii164.50 (6)
Cu3xv—Br4—Cu5i60.76 (3)O4viii—Cu7—Pb1viii38.78 (19)
Cu3xvi—Br4—Cu5i119.02 (4)O1viii—Cu7—Pb1viii142.3 (2)
Cu1—Br4—Cu5xi87.94 (3)O6—Cu7—Pb1viii135.0 (2)
Cu3xv—Br4—Cu5xi119.02 (4)O5viii—Cu7—Pb1viii45.9 (2)
Cu3xvi—Br4—Cu5xi60.76 (3)Br5—Cu7—Pb1viii82.67 (3)
Cu5i—Br4—Cu5xi175.83 (7)Br5viii—Cu7—Pb1viii82.67 (3)
Cu1—Br4—Cu4iv83.45 (9)O4viii—Cu7—Pb2139.1 (2)
Cu3xv—Br4—Cu4iv178.86 (5)O1viii—Cu7—Pb239.8 (2)
Cu3xvi—Br4—Cu4iv121.82 (2)O6—Cu7—Pb242.9 (2)
Cu5i—Br4—Cu4iv119.07 (4)O5viii—Cu7—Pb2136.2 (2)
Cu5xi—Br4—Cu4iv61.07 (3)Br5—Cu7—Pb297.42 (3)
Cu1—Br4—Cu483.45 (9)Br5viii—Cu7—Pb297.42 (3)
Cu3xv—Br4—Cu4121.82 (2)Pb1viii—Cu7—Pb2177.89 (4)
Cu3xvi—Br4—Cu4178.86 (5)O2i—Cu8—O12xiv79.9 (3)
Cu5i—Br4—Cu461.07 (3)O2i—Cu8—O11i76.99 (18)
Cu5xi—Br4—Cu4119.06 (4)O12xiv—Cu8—O11i118.47 (19)
Cu4iv—Br4—Cu458.04 (4)O2i—Cu8—O11xx76.99 (18)
Cu1—Br4—Br15.99 (10)O12xiv—Cu8—O11xx118.47 (19)
Cu3xv—Br4—Br1100.62 (4)O11i—Cu8—O11xx110.4 (3)
Cu3xvi—Br4—Br1100.62 (4)O2i—Cu8—Br3179.8 (2)
Cu5i—Br4—Br187.99 (3)O12xiv—Cu8—Br399.9 (2)
Cu5xi—Br4—Br187.99 (3)O11i—Cu8—Br3103.10 (15)
Cu4iv—Br4—Br178.23 (4)O11xx—Cu8—Br3103.10 (14)
Cu4—Br4—Br178.23 (4)O2i—Cu8—Cu538.3 (2)
Cu2—Br5—Cu782.43 (3)O12xiv—Cu8—Cu541.6 (2)
Cu2—Br5—Cu7v82.43 (3)O11i—Cu8—Cu598.53 (16)
Cu7—Br5—Cu7v164.50 (6)O11xx—Cu8—Cu598.53 (16)
Cu2—Br5—Cu485.47 (6)Br3—Cu8—Cu5141.52 (7)
Cu7—Br5—Cu4120.25 (4)O2i—Cu8—Cu4xx36.77 (11)
Cu7v—Br5—Cu461.64 (3)O12xiv—Cu8—Cu4xx99.15 (19)
Cu2—Br5—Cu4x85.47 (6)O11i—Cu8—Cu4xx94.82 (15)
Cu7—Br5—Cu4x61.64 (3)O11xx—Cu8—Cu4xx40.25 (14)
Cu7v—Br5—Cu4x120.24 (4)Br3—Cu8—Cu4xx143.32 (4)
Cu4—Br5—Cu4x59.19 (4)Cu5—Cu8—Cu4xx63.88 (4)
Cu2—Br5—Cu379.25 (6)O2i—Cu8—Cu4i36.77 (11)
Cu7—Br5—Cu3114.61 (4)O12xiv—Cu8—Cu4i99.15 (19)
Cu7v—Br5—Cu359.01 (3)O11i—Cu8—Cu4i40.25 (14)
Cu4—Br5—Cu3120.02 (2)O11xx—Cu8—Cu4i94.82 (15)
Cu4x—Br5—Cu3164.68 (5)Br3—Cu8—Cu4i143.32 (4)
Cu2—Br5—Cu3x79.24 (6)Cu5—Cu8—Cu4i63.88 (4)
Cu7—Br5—Cu3x59.01 (3)Cu4xx—Cu8—Cu4i62.10 (4)
Cu7v—Br5—Cu3x114.61 (4)Cu3—O1—Cu3iv104.9 (3)
Cu4—Br5—Cu3x164.68 (5)Cu3—O1—Cu7v115.4 (2)
Cu4x—Br5—Cu3x120.02 (2)Cu3iv—O1—Cu7v115.4 (2)
Cu3—Br5—Cu3x56.06 (3)Cu3—O1—Pb2v105.6 (2)
Cu2—Br5—Br2vi168.02 (8)Cu3iv—O1—Pb2v105.6 (2)
Cu7—Br5—Br2vi97.75 (3)Cu7v—O1—Pb2v109.0 (3)
Cu7v—Br5—Br2vi97.75 (3)Cu5i—O2—Cu4x114.4 (2)
Cu4—Br5—Br2vi84.11 (3)Cu5i—O2—Cu4114.4 (2)
Cu4x—Br5—Br2vi84.11 (3)Cu4x—O2—Cu4111.7 (3)
Cu3—Br5—Br2vi111.20 (3)Cu5i—O2—Cu8i102.8 (3)
Cu3x—Br5—Br2vi111.20 (3)Cu4x—O2—Cu8i106.2 (3)
Cu2—Br5—Pb1viii125.62 (4)Cu4—O2—Cu8i106.2 (3)
Cu7—Br5—Pb1viii51.75 (3)Cu5—O3—Cu3xxi112.0 (2)
Cu7v—Br5—Pb1viii142.65 (4)Cu5—O3—Cu3xiii112.0 (2)
Cu4—Br5—Pb1viii93.51 (3)Cu3xxi—O3—Cu3xiii115.6 (4)
Cu4x—Br5—Pb1viii49.94 (2)Cu5—O3—Cu6xiii109.5 (4)
Cu3—Br5—Pb1viii141.25 (3)Cu3xxi—O3—Cu6xiii103.4 (3)
Cu3x—Br5—Pb1viii96.274 (19)Cu3xiii—O3—Cu6xiii103.4 (3)
Br2vi—Br5—Pb1viii49.414 (14)Cu4—O4—Cu4iv106.1 (3)
Cu2—Br5—Pb1125.62 (4)Cu4—O4—Cu7v114.9 (2)
Cu7—Br5—Pb1142.65 (4)Cu4iv—O4—Cu7v114.9 (2)
Cu7v—Br5—Pb151.75 (3)Cu4—O4—Pb1105.4 (2)
Cu4—Br5—Pb149.94 (2)Cu4iv—O4—Pb1105.4 (2)
Cu4x—Br5—Pb193.51 (3)Cu7v—O4—Pb1109.5 (3)
Cu3—Br5—Pb196.274 (19)Se3v—O5—Cu7v127.9 (4)
Cu3x—Br5—Pb1141.25 (3)Se3v—O5—Pb1133.1 (4)
Br2vi—Br5—Pb149.414 (14)Cu7v—O5—Pb199.1 (3)
Pb1viii—Br5—Pb191.05 (2)Se4viii—O6—Cu7126.7 (5)
Cu2—Br5—Br67.24 (6)Se4viii—O6—Pb2129.7 (4)
Cu7—Br5—Br682.28 (3)Cu7—O6—Pb2103.6 (3)
Cu7v—Br5—Br682.28 (3)Se2—O7—Cu5123.6 (4)
Cu4—Br5—Br691.77 (3)Se2—O7—Cu6xiii145.0 (4)
Cu4x—Br5—Br691.77 (3)Cu5—O7—Cu6xiii91.4 (3)
Cu3—Br5—Br672.91 (3)Se1—O8—Cu3viii127.1 (3)
Cu3x—Br5—Br672.91 (3)Se1—O8—Pb2131.3 (3)
Br2vi—Br5—Br6175.26 (4)Cu3viii—O8—Pb2101.0 (2)
Pb1viii—Br5—Br6128.821 (17)Se2—O9—Cu4i127.0 (3)
Pb1—Br5—Br6128.820 (17)Se2—O9—Pb1i132.1 (3)
Cu2—Br6—Pb2i129.30 (8)Cu4i—O9—Pb1i100.4 (2)
Cu2—Br6—Pb280.82 (3)Se3—O10—Cu6viii135.8 (3)
Pb2i—Br6—Pb2114.798 (18)Se3—O10—Cu3viii125.6 (3)
Cu2—Br6—Pb2v80.82 (3)Cu6viii—O10—Cu3viii97.0 (2)
Pb2i—Br6—Pb2v114.798 (18)Se4—O11—Cu4125.8 (3)
Pb2—Br6—Pb2v127.63 (4)Se4—O11—Cu8i138.9 (3)
Cu2—Br6—Se1v86.84 (7)Cu4—O11—Cu8i94.7 (2)
Pb2i—Br6—Se1v143.87 (4)Se1—O12—Cu5xiv125.9 (5)
Pb2—Br6—Se1v65.188 (19)Se1—O12—Cu8xiv137.6 (5)
Pb2v—Br6—Se1v65.188 (19)Cu5xiv—O12—Cu8xiv96.5 (3)
Cu2—Br6—Se4xi166.02 (8)
Symmetry codes: (i) x+1/2, y1/2, 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, y1, z; (ix) x, y1, z; (x) x, y, z; (xi) x+1/2, y+1/2, z+1; (xii) x1/2, y+1/2, z; (xiii) x+1/2, y1/2, z+2; (xiv) x+1/2, y3/2, z+2; (xv) x, y, z1; (xvi) x, y+1, z1; (xvii) x, y2, z; (xviii) x+1/2, y1/2, z; (xix) x, y, z+1; (xx) x+1/2, y1/2, z+1; (xxi) x+1/2, y1/2, z+2.
(CuPbOXO4) top
Crystal data top
Br22.16Cu28O64Pb17.06Se16F(000) = 4043
Mr = 9371.95Dx = 5.080 Mg m3
Orthorhombic, CmmmMo Kα radiation, λ = 0.71073 Å
a = 23.943 (12) ÅCell parameters from 740 reflections
b = 20.268 (10) Åθ = 2.0–21.4°
c = 6.313 (4) ŵ = 40.13 mm1
V = 3064 (3) Å3T = 293 K
Z = 1Plate
Data collection top
Bruker Apex 2 Duo
diffractometer
θmax = 21.4°, θmin = 2.0°
6846 measured reflectionsh = 2424
1013 independent reflectionsk = 2020
764 reflections with I > 2σ(I)l = 36
Rint = 0.098
Refinement top
Refinement on F2128 parameters
Least-squares matrix: full6 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 = 1.20Δρmax = 4.13 e Å3
1013 reflectionsΔρmin = 2.80 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Pb10.22507 (12)0.5000000.5000000.0237 (9)
Pb20.10858 (10)0.22925 (10)0.0000000.0356 (9)
Se10.1838 (2)0.3915 (2)0.0000000.0209 (14)
Se20.0783 (2)0.1446 (3)0.5000000.0236 (14)
Cu10.19745 (17)0.12228 (19)0.2505 (7)0.0210 (12)
Cu20.1377 (4)0.0000000.5000000.022 (2)
Cu30.2500000.2500000.0000000.022 (2)
O10.1977 (12)0.1786 (15)0.0000000.021 (9)
O20.3046 (13)0.4319 (15)0.5000000.019 (8)
O30.0726 (14)0.0600 (17)0.5000000.029 (9)
O40.1855 (14)0.3079 (16)0.0000000.026 (9)
O50.1218 (10)0.1573 (12)0.291 (4)0.031 (7)
O60.2264 (12)0.4087 (12)0.216 (5)0.044 (8)
Br10.1454 (5)0.0000000.0000000.050 (3)
Br20.0000000.1202 (7)0.0000000.074 (4)
Pb3A0.0000000.0000000.2913 (12)0.0373 (18)0.5
Pb3B0.0552 (12)0.0000000.0000000.043 (7)*0.125
Br30.0914 (4)0.3131 (5)0.5000000.022 (2)0.5
Br40.1881 (9)0.3280 (12)0.5000000.101 (7)0.5
Cu40.2500000.2500000.5000000.029 (2)
Pb40.0000000.4069 (5)0.5000000.128 (4)0.64
Br60.4190 (6)0.0000000.254 (6)0.144 (14)0.5
Br70.0000000.3485 (9)0.0000000.051 (5)0.54
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.0215 (17)0.0262 (17)0.0233 (18)0.0000.0000.000
Pb20.0367 (16)0.0292 (14)0.0410 (17)0.0002 (10)0.0000.000
Se10.021 (3)0.020 (3)0.021 (3)0.003 (2)0.0000.000
Se20.017 (3)0.030 (3)0.024 (3)0.003 (2)0.0000.000
Cu10.023 (3)0.022 (2)0.019 (3)0.0018 (19)0.001 (2)0.002 (2)
Cu20.020 (5)0.022 (5)0.025 (5)0.0000.0000.000
Cu30.018 (5)0.016 (4)0.032 (6)0.004 (4)0.0000.000
O10.007 (17)0.017 (18)0.04 (2)0.001 (15)0.0000.000
O20.020 (19)0.012 (18)0.02 (2)0.006 (15)0.0000.000
O30.02 (2)0.020 (18)0.04 (2)0.001 (16)0.0000.000
O40.026 (12)0.024 (12)0.029 (12)0.007 (9)0.0000.000
O50.028 (15)0.047 (16)0.019 (15)0.006 (13)0.004 (14)0.004 (13)
O60.054 (18)0.032 (15)0.05 (2)0.018 (14)0.012 (17)0.035 (15)
Br10.091 (8)0.029 (5)0.030 (5)0.0000.0000.000
Br20.026 (5)0.152 (12)0.042 (7)0.0000.0000.000
Pb3A0.039 (4)0.033 (4)0.040 (4)0.0000.0000.000
Br30.015 (5)0.021 (5)0.029 (6)0.003 (4)0.0000.000
Br40.080 (13)0.120 (16)0.103 (16)0.027 (12)0.0000.000
Cu40.040 (6)0.030 (5)0.016 (5)0.008 (5)0.0000.000
Pb40.067 (6)0.109 (7)0.207 (14)0.0000.0000.000
Br60.039 (9)0.050 (9)0.34 (4)0.0000.064 (16)0.000
Br70.039 (10)0.052 (11)0.061 (13)0.0000.0000.000
Geometric parameters (Å, º) top
Pb1—O2i2.35 (3)Cu1—Cu4x3.281 (4)
Pb1—O22.35 (3)Cu1—Cu33.284 (4)
Pb1—O62.58 (2)Cu2—O2iv1.95 (3)
Pb1—O6i2.58 (2)Cu2—O2xv1.95 (3)
Pb1—O6ii2.58 (2)Cu2—O3xvi1.98 (3)
Pb1—O6iii2.58 (2)Cu2—O31.98 (3)
Pb1—Cu2iv3.287 (9)Cu2—Br1xii3.162 (2)
Pb1—Cu1v3.473 (5)Cu2—Br13.162 (2)
Pb1—Cu1vi3.473 (5)Cu3—O1vii1.91 (3)
Pb1—Cu1vii3.473 (5)Cu3—O11.91 (3)
Pb1—Cu1viii3.473 (5)Cu3—O4vii1.94 (3)
Pb1—Br43.60 (2)Cu3—O41.94 (3)
Pb2—O52.37 (2)Cu3—Cu4x3.157 (2)
Pb2—O5ix2.37 (2)Cu3—Cu43.157 (2)
Pb2—O12.37 (3)O3—Pb3Axiii2.50 (3)
Pb2—O42.44 (3)O3—Pb3A2.50 (3)
Pb2—Br23.412 (10)O6—Br42.59 (4)
Pb2—Cu33.412 (3)Br1—Pb3B2.16 (3)
Pb2—Cu13.425 (5)Br1—Pb3A3.937 (11)
Pb2—Cu1ix3.425 (5)Br1—Pb3Axvii3.937 (11)
Pb2—Br73.549 (13)Br1—Br24.249 (13)
Pb2—Br3x3.608 (5)Br1—Br2xvii4.249 (13)
Pb2—Br33.608 (5)Br2—Pb3B2.772 (19)
Pb2—Se23.665 (3)Br2—Pb3Bxvii2.772 (19)
Se1—O41.70 (3)Br2—Pb3A3.053 (13)
Se1—O6ix1.74 (3)Br2—Pb3Axvii3.053 (13)
Se1—O61.74 (3)Pb3A—Pb3B2.264 (18)
Se1—Cu1vii3.265 (6)Pb3A—Pb3Bxvii2.264 (18)
Se1—Cu1xi3.265 (6)Pb3A—Pb3Axiii2.635 (15)
Se1—Cu33.277 (5)Pb3A—Pb3Axvii3.678 (15)
Se1—Br4x3.411 (9)Pb3B—Pb3Bxvii2.64 (6)
Se1—Br43.411 (9)Br3—Br42.34 (2)
Se1—Br6vii3.670 (17)Br3—Pb42.899 (12)
Se1—Br6xi3.670 (17)Br3—Br7xii3.907 (7)
Se2—O5iii1.70 (3)Br3—Br73.907 (7)
Se2—O51.70 (3)Br3—Cu44.007 (10)
Se2—O31.72 (3)Br3—Br6iv4.103 (17)
Se2—Cu23.257 (7)Br3—Br6xi4.103 (17)
Se2—Cu1xii3.290 (6)Br4—Cu42.17 (2)
Se2—Cu1ix3.290 (6)Pb4—Br6iv3.120 (19)
Se2—Br33.429 (12)Pb4—Br6xi3.120 (19)
Se2—Br2xii3.704 (4)Pb4—Br6xviii3.120 (19)
Se2—Br23.704 (4)Pb4—Br6xix3.120 (19)
Se2—Pb3Axiii3.720 (6)Pb4—Br73.371 (8)
Cu1—O2vii1.921 (17)Pb4—Br7xii3.371 (8)
Cu1—O6vii1.94 (3)Pb4—Pb4xx3.77 (2)
Cu1—O11.950 (19)Br6—Br6iii3.11 (7)
Cu1—O5ix1.96 (2)Br6—Br6ix3.20 (7)
Cu1—Cu1xiv3.150 (9)Br6—Br6xxi3.88 (3)
Cu1—Cu1ix3.163 (9)Br6—Br7vii3.97 (2)
Cu1—Br13.193 (6)Br6—Br7xxii3.97 (2)
Cu1—Cu2x3.267 (6)
O2i—Pb1—O271.8 (15)Cu1xxv—Br1—Pb1iv94.6 (2)
O2i—Pb1—O6114.3 (9)Cu1xxiii—Br1—Pb1iv51.18 (14)
O2—Pb1—O664.4 (8)Cu1—Br1—Pb1iv94.6 (2)
O2i—Pb1—O6i64.4 (8)Pb3A—Br1—Pb1iv106.65 (11)
O2—Pb1—O6i114.3 (9)Pb3Axvii—Br1—Pb1iv162.3 (2)
O6—Pb1—O6i178.6 (13)Br2—Br1—Pb1iv125.04 (9)
O2i—Pb1—O6ii64.4 (8)Br2xvii—Br1—Pb1iv125.04 (9)
O2—Pb1—O6ii114.3 (9)Pb3B—Br2—Pb3Bxvii56.9 (11)
O6—Pb1—O6ii91.8 (14)Pb3B—Br2—Pb3A45.4 (4)
O6i—Pb1—O6ii88.2 (14)Pb3Bxvii—Br2—Pb3A45.4 (4)
O2i—Pb1—O6iii114.3 (9)Pb3B—Br2—Pb3Axvii45.4 (4)
O2—Pb1—O6iii64.4 (8)Pb3Bxvii—Br2—Pb3Axvii45.4 (4)
O6—Pb1—O6iii88.2 (14)Pb3A—Br2—Pb3Axvii74.1 (4)
O6i—Pb1—O6iii91.8 (14)Pb3B—Br2—Pb2101.9 (5)
O6ii—Pb1—O6iii178.6 (13)Pb3Bxvii—Br2—Pb2158.8 (6)
O2i—Pb1—Cu2iv35.9 (8)Pb3A—Br2—Pb2121.12 (8)
O2—Pb1—Cu2iv35.9 (8)Pb3Axvii—Br2—Pb2121.12 (8)
O6—Pb1—Cu2iv89.3 (6)Pb3B—Br2—Pb2xxvi158.8 (6)
O6i—Pb1—Cu2iv89.3 (6)Pb3Bxvii—Br2—Pb2xxvi101.9 (5)
O6ii—Pb1—Cu2iv89.3 (6)Pb3A—Br2—Pb2xxvi121.12 (8)
O6iii—Pb1—Cu2iv89.3 (6)Pb3Axvii—Br2—Pb2xxvi121.12 (8)
O2i—Pb1—Cu1v31.7 (4)Pb2—Br2—Pb2xxvi99.3 (4)
O2—Pb1—Cu1v89.2 (7)Pb3B—Br2—Se2xxvii111.0 (3)
O6—Pb1—Cu1v145.2 (7)Pb3Bxvii—Br2—Se2xxvii82.9 (3)
O6i—Pb1—Cu1v33.4 (6)Pb3A—Br2—Se2xxvii128.3 (4)
O6ii—Pb1—Cu1v78.2 (6)Pb3Axvii—Br2—Se2xxvii65.98 (14)
O6iii—Pb1—Cu1v101.0 (7)Pb2—Br2—Se2xxvii107.4 (3)
Cu2iv—Pb1—Cu1v57.72 (8)Pb2xxvi—Br2—Se2xxvii61.84 (13)
O2i—Pb1—Cu1vi31.7 (4)Pb3B—Br2—Se2xxvi111.0 (3)
O2—Pb1—Cu1vi89.2 (7)Pb3Bxvii—Br2—Se2xxvi82.9 (3)
O6—Pb1—Cu1vi101.0 (7)Pb3A—Br2—Se2xxvi65.98 (14)
O6i—Pb1—Cu1vi78.2 (6)Pb3Axvii—Br2—Se2xxvi128.3 (4)
O6ii—Pb1—Cu1vi33.4 (6)Pb2—Br2—Se2xxvi107.4 (3)
O6iii—Pb1—Cu1vi145.2 (7)Pb2xxvi—Br2—Se2xxvi61.84 (13)
Cu2iv—Pb1—Cu1vi57.72 (8)Se2xxvii—Br2—Se2xxvi116.88 (17)
Cu1v—Pb1—Cu1vi53.93 (15)Pb3B—Br2—Se2x82.9 (3)
O2i—Pb1—Cu1vii89.2 (7)Pb3Bxvii—Br2—Se2x111.0 (3)
O2—Pb1—Cu1vii31.7 (4)Pb3A—Br2—Se2x128.3 (4)
O6—Pb1—Cu1vii33.4 (6)Pb3Axvii—Br2—Se2x65.98 (14)
O6i—Pb1—Cu1vii145.2 (7)Pb2—Br2—Se2x61.84 (13)
O6ii—Pb1—Cu1vii101.0 (7)Pb2xxvi—Br2—Se2x107.4 (3)
O6iii—Pb1—Cu1vii78.2 (6)Se2xxvii—Br2—Se2x60.81 (15)
Cu2iv—Pb1—Cu1vii57.72 (8)Se2xxvi—Br2—Se2x164.7 (5)
Cu1v—Pb1—Cu1vii115.44 (16)Pb3B—Br2—Se282.9 (3)
Cu1vi—Pb1—Cu1vii91.05 (15)Pb3Bxvii—Br2—Se2111.0 (3)
O2i—Pb1—Cu1viii89.2 (7)Pb3A—Br2—Se265.98 (14)
O2—Pb1—Cu1viii31.7 (4)Pb3Axvii—Br2—Se2128.3 (4)
O6—Pb1—Cu1viii78.2 (6)Pb2—Br2—Se261.84 (13)
O6i—Pb1—Cu1viii101.0 (7)Pb2xxvi—Br2—Se2107.4 (3)
O6ii—Pb1—Cu1viii145.2 (7)Se2xxvii—Br2—Se2164.7 (5)
O6iii—Pb1—Cu1viii33.4 (6)Se2xxvi—Br2—Se260.81 (15)
Cu2iv—Pb1—Cu1viii57.72 (8)Se2x—Br2—Se2116.88 (17)
Cu1v—Pb1—Cu1viii91.05 (15)Pb3B—Br2—Br1xvii83.5 (6)
Cu1vi—Pb1—Cu1viii115.44 (16)Pb3Bxvii—Br2—Br1xvii26.5 (5)
Cu1vii—Pb1—Cu1viii53.93 (15)Pb3A—Br2—Br1xvii62.8 (2)
O2i—Pb1—Br4140.2 (8)Pb3Axvii—Br2—Br1xvii62.8 (2)
O2—Pb1—Br468.3 (8)Pb2—Br2—Br1xvii174.6 (4)
O6—Pb1—Br446.1 (7)Pb2xxvi—Br2—Br1xvii75.35 (11)
O6i—Pb1—Br4134.4 (7)Se2xxvii—Br2—Br1xvii70.23 (12)
O6ii—Pb1—Br4134.4 (7)Se2xxvi—Br2—Br1xvii70.23 (12)
O6iii—Pb1—Br446.1 (7)Se2x—Br2—Br1xvii119.41 (18)
Cu2iv—Pb1—Br4104.2 (3)Se2—Br2—Br1xvii119.41 (18)
Cu1v—Pb1—Br4145.4 (2)Pb3B—Br2—Br126.5 (5)
Cu1vi—Pb1—Br4145.4 (2)Pb3Bxvii—Br2—Br183.5 (6)
Cu1vii—Pb1—Br455.9 (3)Pb3A—Br2—Br162.8 (2)
Cu1viii—Pb1—Br455.9 (3)Pb3Axvii—Br2—Br162.8 (2)
O5—Pb2—O5ix101.7 (12)Pb2—Br2—Br175.35 (11)
O5—Pb2—O167.2 (7)Pb2xxvi—Br2—Br1174.6 (4)
O5ix—Pb2—O167.2 (7)Se2xxvii—Br2—Br1119.41 (18)
O5—Pb2—O4107.6 (8)Se2xxvi—Br2—Br1119.41 (18)
O5ix—Pb2—O4107.6 (8)Se2x—Br2—Br170.23 (12)
O1—Pb2—O466.6 (11)Se2—Br2—Br170.23 (12)
O5—Pb2—Br272.7 (6)Br1xvii—Br2—Br1110.0 (4)
O5ix—Pb2—Br272.7 (6)Pb3B—Pb3A—Pb3Bxvii71.4 (12)
O1—Pb2—Br2113.9 (8)Pb3B—Pb3A—O391.3 (7)
O4—Pb2—Br2179.5 (8)Pb3Bxvii—Pb3A—O3146.6 (7)
O5—Pb2—Cu386.8 (6)Pb3B—Pb3A—O3xvi91.3 (7)
O5ix—Pb2—Cu386.8 (6)Pb3Bxvii—Pb3A—O3xvi146.6 (7)
O1—Pb2—Cu332.8 (7)O3—Pb3A—O3xvi58.3 (15)
O4—Pb2—Cu333.8 (8)Pb3B—Pb3A—O3xiii146.6 (7)
Br2—Pb2—Cu3146.7 (2)Pb3Bxvii—Pb3A—O3xiii91.3 (7)
O5—Pb2—Cu183.4 (6)O3—Pb3A—O3xiii116.3 (9)
O5ix—Pb2—Cu133.7 (6)O3xvi—Pb3A—O3xiii88.2 (14)
O1—Pb2—Cu133.5 (4)Pb3B—Pb3A—O3xxvi146.6 (7)
O4—Pb2—Cu186.8 (7)Pb3Bxvii—Pb3A—O3xxvi91.3 (7)
Br2—Pb2—Cu193.64 (19)O3—Pb3A—O3xxvi88.2 (14)
Cu3—Pb2—Cu157.42 (8)O3xvi—Pb3A—O3xxvi116.3 (9)
O5—Pb2—Cu1ix33.7 (6)O3xiii—Pb3A—O3xxvi58.3 (15)
O5ix—Pb2—Cu1ix83.4 (6)Pb3B—Pb3A—Pb3Axiii144.3 (6)
O1—Pb2—Cu1ix33.5 (4)Pb3Bxvii—Pb3A—Pb3Axiii144.3 (6)
O4—Pb2—Cu1ix86.8 (7)O3—Pb3A—Pb3Axiii58.2 (4)
Br2—Pb2—Cu1ix93.64 (19)O3xvi—Pb3A—Pb3Axiii58.2 (4)
Cu3—Pb2—Cu1ix57.42 (8)O3xiii—Pb3A—Pb3Axiii58.2 (4)
Cu1—Pb2—Cu1ix55.01 (15)O3xxvi—Pb3A—Pb3Axiii58.2 (4)
O5—Pb2—Br7121.2 (6)Pb3B—Pb3A—Br260.7 (3)
O5ix—Pb2—Br7121.2 (6)Pb3Bxvii—Pb3A—Br260.7 (3)
O1—Pb2—Br7162.8 (8)O3—Pb3A—Br285.9 (6)
O4—Pb2—Br796.2 (8)O3xvi—Pb3A—Br2135.0 (7)
Br2—Pb2—Br783.3 (3)O3xiii—Pb3A—Br2135.0 (7)
Cu3—Pb2—Br7130.0 (2)O3xxvi—Pb3A—Br285.9 (6)
Cu1—Pb2—Br7152.38 (8)Pb3Axiii—Pb3A—Br2127.0 (2)
Cu1ix—Pb2—Br7152.38 (8)Pb3B—Pb3A—Br2xvii60.7 (3)
O5—Pb2—Br3x169.8 (6)Pb3Bxvii—Pb3A—Br2xvii60.7 (3)
O5ix—Pb2—Br3x68.1 (6)O3—Pb3A—Br2xvii135.0 (7)
O1—Pb2—Br3x107.9 (3)O3xvi—Pb3A—Br2xvii85.9 (6)
O4—Pb2—Br3x77.2 (4)O3xiii—Pb3A—Br2xvii85.9 (6)
Br2—Pb2—Br3x102.59 (18)O3xxvi—Pb3A—Br2xvii135.0 (7)
Cu3—Pb2—Br3x93.16 (16)Pb3Axiii—Pb3A—Br2xvii127.0 (2)
Cu1—Pb2—Br3x87.99 (16)Br2—Pb3A—Br2xvii105.9 (4)
Cu1ix—Pb2—Br3x140.62 (17)Pb3B—Pb3A—Cu2xiii147.5 (6)
Br7—Pb2—Br3x66.16 (16)Pb3Bxvii—Pb3A—Cu2xiii76.1 (6)
O5—Pb2—Br368.1 (6)O3—Pb3A—Cu2xiii116.8 (6)
O5ix—Pb2—Br3169.8 (6)O3xvi—Pb3A—Cu2xiii116.8 (6)
O1—Pb2—Br3107.9 (3)O3xiii—Pb3A—Cu2xiii32.6 (8)
O4—Pb2—Br377.2 (4)O3xxvi—Pb3A—Cu2xiii32.6 (8)
Br2—Pb2—Br3102.59 (18)Pb3Axiii—Pb3A—Cu2xiii68.21 (12)
Cu3—Pb2—Br393.16 (16)Br2—Pb3A—Cu2xiii102.92 (7)
Cu1—Pb2—Br3140.62 (17)Br2xvii—Pb3A—Cu2xiii102.92 (7)
Cu1ix—Pb2—Br387.99 (16)Pb3B—Pb3A—Cu276.1 (6)
Br7—Pb2—Br366.16 (16)Pb3Bxvii—Pb3A—Cu2147.5 (6)
Br3x—Pb2—Br3122.0 (3)O3—Pb3A—Cu232.6 (8)
O5—Pb2—Se221.5 (6)O3xvi—Pb3A—Cu232.6 (8)
O5ix—Pb2—Se2113.9 (6)O3xiii—Pb3A—Cu2116.8 (6)
O1—Pb2—Se288.6 (4)O3xxvi—Pb3A—Cu2116.8 (6)
O4—Pb2—Se2117.1 (2)Pb3Axiii—Pb3A—Cu268.21 (12)
Br2—Pb2—Se263.01 (10)Br2—Pb3A—Cu2102.92 (7)
Cu3—Pb2—Se2104.71 (9)Br2xvii—Pb3A—Cu2102.92 (7)
Cu1—Pb2—Se2102.95 (12)Cu2xiii—Pb3A—Cu2136.4 (2)
Cu1ix—Pb2—Se255.16 (11)Pb3B—Pb3A—Pb3Axvii35.7 (6)
Br7—Pb2—Se2100.02 (14)Pb3Bxvii—Pb3A—Pb3Axvii35.7 (6)
Br3x—Pb2—Se2162.04 (19)O3—Pb3A—Pb3Axvii121.8 (4)
Br3—Pb2—Se256.26 (17)O3xvi—Pb3A—Pb3Axvii121.8 (4)
O4—Se1—O6ix100.7 (11)O3xiii—Pb3A—Pb3Axvii121.8 (4)
O4—Se1—O6100.7 (11)O3xxvi—Pb3A—Pb3Axvii121.8 (4)
O6ix—Se1—O6103 (2)Pb3Axiii—Pb3A—Pb3Axvii180.0
O4—Se1—Cu1vii83.9 (10)Br2—Pb3A—Pb3Axvii53.0 (2)
O6ix—Se1—Cu1vii83.5 (10)Br2xvii—Pb3A—Pb3Axvii53.0 (2)
O6—Se1—Cu1vii29.1 (9)Cu2xiii—Pb3A—Pb3Axvii111.79 (12)
O4—Se1—Cu1xi83.9 (10)Cu2—Pb3A—Pb3Axvii111.79 (12)
O6ix—Se1—Cu1xi29.1 (9)Br1—Pb3B—Pb3A125.7 (6)
O6—Se1—Cu1xi83.5 (10)Br1—Pb3B—Pb3Axvii125.7 (6)
Cu1vii—Se1—Cu1xi57.95 (18)Pb3A—Pb3B—Pb3Axvii108.6 (12)
O4—Se1—Cu327.6 (12)Br1—Pb3B—Pb3Bxvii180.0
O6ix—Se1—Cu383.8 (8)Pb3A—Pb3B—Pb3Bxvii54.3 (6)
O6—Se1—Cu383.8 (8)Pb3Axvii—Pb3B—Pb3Bxvii54.3 (6)
Cu1vii—Se1—Cu360.27 (11)Br1—Pb3B—Br2118.5 (6)
Cu1xi—Se1—Cu360.27 (11)Pb3A—Pb3B—Br273.9 (5)
O4—Se1—Br4x67.8 (4)Pb3Axvii—Pb3B—Br273.9 (5)
O6ix—Se1—Br4x48.1 (11)Pb3Bxvii—Pb3B—Br261.5 (6)
O6—Se1—Br4x141.6 (10)Br1—Pb3B—Br2xvii118.5 (6)
Cu1vii—Se1—Br4x112.9 (4)Pb3A—Pb3B—Br2xvii73.9 (5)
Cu1xi—Se1—Br4x59.5 (4)Pb3Axvii—Pb3B—Br2xvii73.9 (5)
Cu3—Se1—Br4x69.8 (3)Pb3Bxvii—Pb3B—Br2xvii61.5 (6)
O4—Se1—Br467.8 (4)Br2—Pb3B—Br2xvii123.1 (11)
O6ix—Se1—Br4141.6 (10)Br1—Pb3B—Cu2x58.0 (4)
O6—Se1—Br448.1 (11)Pb3A—Pb3B—Cu2x176.3 (10)
Cu1vii—Se1—Br459.5 (4)Pb3Axvii—Pb3B—Cu2x67.7 (3)
Cu1xi—Se1—Br4112.9 (4)Pb3Bxvii—Pb3B—Cu2x122.0 (4)
Cu3—Se1—Br469.8 (3)Br2—Pb3B—Cu2x104.64 (13)
Br4x—Se1—Br4135.5 (7)Br2xvii—Pb3B—Cu2x104.64 (13)
O4—Se1—Br6vii127.9 (10)Br1—Pb3B—Cu258.0 (4)
O6ix—Se1—Br6vii86.1 (10)Pb3A—Pb3B—Cu267.7 (3)
O6—Se1—Br6vii128.0 (9)Pb3Axvii—Pb3B—Cu2176.3 (10)
Cu1vii—Se1—Br6vii147.9 (2)Pb3Bxvii—Pb3B—Cu2122.0 (4)
Cu1xi—Se1—Br6vii115.1 (5)Br2—Pb3B—Cu2104.64 (13)
Cu3—Se1—Br6vii148.1 (4)Br2xvii—Pb3B—Cu2104.64 (13)
Br4x—Se1—Br6vii80.9 (6)Cu2x—Pb3B—Cu2115.9 (8)
Br4—Se1—Br6vii130.6 (6)Br1—Pb3B—Se2xxiii82.7 (4)
O4—Se1—Br6xi127.9 (10)Pb3A—Pb3B—Se2xxiii131.7 (5)
O6ix—Se1—Br6xi128.0 (9)Pb3Axvii—Pb3B—Se2xxiii58.94 (12)
O6—Se1—Br6xi86.1 (10)Pb3Bxvii—Pb3B—Se2xxiii97.3 (4)
Cu1vii—Se1—Br6xi115.1 (5)Br2—Pb3B—Se2xxiii130.8 (4)
Cu1xi—Se1—Br6xi147.9 (2)Br2xvii—Pb3B—Se2xxiii57.83 (10)
Cu3—Se1—Br6xi148.1 (4)Cu2x—Pb3B—Se2xxiii46.85 (12)
Br4x—Se1—Br6xi130.6 (6)Cu2—Pb3B—Se2xxiii123.3 (5)
Br4—Se1—Br6xi80.9 (6)Br1—Pb3B—Se2xvi82.7 (4)
Br6vii—Se1—Br6xi51.8 (11)Pb3A—Pb3B—Se2xvi58.94 (12)
O4—Se1—Pb230.1 (12)Pb3Axvii—Pb3B—Se2xvi131.7 (5)
O6ix—Se1—Pb2117.2 (10)Pb3Bxvii—Pb3B—Se2xvi97.3 (4)
O6—Se1—Pb2117.2 (10)Br2—Pb3B—Se2xvi130.8 (4)
Cu1vii—Se1—Pb2110.07 (15)Br2xvii—Pb3B—Se2xvi57.83 (10)
Cu1xi—Se1—Pb2110.07 (15)Cu2x—Pb3B—Se2xvi123.3 (5)
Cu3—Se1—Pb257.63 (9)Cu2—Pb3B—Se2xvi46.85 (12)
Br4x—Se1—Pb271.5 (4)Se2xxiii—Pb3B—Se2xvi93.25 (15)
Br4—Se1—Pb271.5 (4)Br1—Pb3B—Se2x82.7 (4)
Br6vii—Se1—Pb2101.71 (19)Pb3A—Pb3B—Se2x131.7 (5)
Br6xi—Se1—Pb2101.71 (19)Pb3Axvii—Pb3B—Se2x58.94 (12)
O4—Se1—Pb1123.2 (4)Pb3Bxvii—Pb3B—Se2x97.3 (4)
O6ix—Se1—Pb1111.5 (10)Br2—Pb3B—Se2x57.83 (10)
O6—Se1—Pb128.3 (8)Br2xvii—Pb3B—Se2x130.8 (4)
Cu1vii—Se1—Pb156.35 (10)Cu2x—Pb3B—Se2x46.85 (12)
Cu1xi—Se1—Pb1102.47 (15)Cu2—Pb3B—Se2x123.3 (5)
Cu3—Se1—Pb1111.37 (10)Se2xxiii—Pb3B—Se2x84.88 (14)
Br4x—Se1—Pb1159.6 (4)Se2xvi—Pb3B—Se2x165.3 (8)
Br4—Se1—Pb157.7 (4)Br1—Pb3B—Se282.7 (4)
Br6vii—Se1—Pb1100.5 (4)Pb3A—Pb3B—Se258.94 (12)
Br6xi—Se1—Pb159.2 (4)Pb3Axvii—Pb3B—Se2131.7 (5)
Pb2—Se1—Pb1127.23 (6)Pb3Bxvii—Pb3B—Se297.3 (4)
O5iii—Se2—O5101.9 (17)Br2—Pb3B—Se257.83 (10)
O5iii—Se2—O3101.5 (11)Br2xvii—Pb3B—Se2130.8 (4)
O5—Se2—O3101.5 (11)Cu2x—Pb3B—Se2123.3 (5)
O5iii—Se2—Cu282.5 (8)Cu2—Pb3B—Se246.85 (12)
O5—Se2—Cu282.5 (8)Se2xxiii—Pb3B—Se2165.3 (8)
O3—Se2—Cu230.4 (11)Se2xvi—Pb3B—Se284.88 (14)
O5iii—Se2—Cu1xii28.2 (8)Se2x—Pb3B—Se293.25 (15)
O5—Se2—Cu1xii82.1 (8)Br4—Br3—Pb4131.6 (7)
O3—Se2—Cu1xii86.1 (10)Br4—Br3—Se2102.7 (7)
Cu2—Se2—Cu1xii59.86 (16)Pb4—Br3—Se2125.8 (4)
O5iii—Se2—Cu1ix82.1 (8)Br4—Br3—Pb2xii87.0 (3)
O5—Se2—Cu1ix28.2 (8)Pb4—Br3—Pb2xii113.26 (18)
O3—Se2—Cu1ix86.1 (10)Se2—Br3—Pb2xii62.71 (14)
Cu2—Se2—Cu1ix59.86 (16)Br4—Br3—Pb287.0 (3)
Cu1xii—Se2—Cu1ix57.21 (18)Pb4—Br3—Pb2113.26 (18)
O5iii—Se2—Br378.1 (9)Se2—Br3—Pb262.71 (14)
O5—Se2—Br378.1 (9)Pb2xii—Br3—Pb2122.0 (3)
O3—Se2—Br3179.3 (12)Br4—Br3—Br7xii122.1 (2)
Cu2—Se2—Br3148.9 (3)Pb4—Br3—Br7xii57.1 (2)
Cu1xii—Se2—Br393.3 (2)Se2—Br3—Br7xii97.6 (3)
Cu1ix—Se2—Br393.3 (2)Pb2xii—Br3—Br7xii56.20 (19)
O5iii—Se2—Pb2118.5 (9)Pb2—Br3—Br7xii149.0 (3)
O5—Se2—Pb230.6 (8)Br4—Br3—Br7122.1 (2)
O3—Se2—Pb2118.8 (2)Pb4—Br3—Br757.1 (2)
Cu2—Se2—Pb2109.57 (11)Se2—Br3—Br797.6 (3)
Cu1xii—Se2—Pb2107.77 (15)Pb2xii—Br3—Br7149.0 (3)
Cu1ix—Se2—Pb258.71 (10)Pb2—Br3—Br756.20 (19)
Br3—Se2—Pb261.03 (9)Br7xii—Br3—Br7107.8 (3)
O5iii—Se2—Pb2xii30.6 (8)Br4—Br3—Cu426.0 (6)
O5—Se2—Pb2xii118.5 (9)Pb4—Br3—Cu4157.6 (4)
O3—Se2—Pb2xii118.8 (2)Se2—Br3—Cu476.6 (2)
Cu2—Se2—Pb2xii109.57 (11)Pb2xii—Br3—Cu475.03 (16)
Cu1xii—Se2—Pb2xii58.71 (10)Pb2—Br3—Cu475.03 (16)
Cu1ix—Se2—Pb2xii107.77 (15)Br7xii—Br3—Cu4126.11 (14)
Br3—Se2—Pb2xii61.03 (9)Br7—Br3—Cu4126.11 (14)
Pb2—Se2—Pb2xii118.91 (16)Br4—Br3—Br6iv86.6 (6)
O5iii—Se2—Br2xii70.6 (8)Pb4—Br3—Br6iv49.3 (3)
O5—Se2—Br2xii172.5 (9)Se2—Br3—Br6iv156.1 (5)
O3—Se2—Br2xii80.0 (6)Pb2xii—Br3—Br6iv96.3 (5)
Cu2—Se2—Br2xii95.8 (2)Pb2—Br3—Br6iv140.7 (5)
Cu1xii—Se2—Br2xii90.72 (10)Br7xii—Br3—Br6iv59.3 (5)
Cu1ix—Se2—Br2xii145.95 (18)Br7—Br3—Br6iv95.9 (5)
Br3—Se2—Br2xii100.3 (3)Cu4—Br3—Br6iv110.6 (3)
Pb2—Se2—Br2xii153.7 (2)Br4—Br3—Br6xi86.6 (6)
Pb2xii—Se2—Br2xii55.15 (16)Pb4—Br3—Br6xi49.3 (3)
O5iii—Se2—Br2172.5 (9)Se2—Br3—Br6xi156.1 (5)
O5—Se2—Br270.6 (8)Pb2xii—Br3—Br6xi140.7 (5)
O3—Se2—Br280.0 (6)Pb2—Br3—Br6xi96.3 (5)
Cu2—Se2—Br295.8 (2)Br7xii—Br3—Br6xi95.9 (5)
Cu1xii—Se2—Br2145.95 (18)Br7—Br3—Br6xi59.3 (5)
Cu1ix—Se2—Br290.72 (10)Cu4—Br3—Br6xi110.6 (3)
Br3—Se2—Br2100.3 (3)Br6iv—Br3—Br6xi44.5 (9)
Pb2—Se2—Br255.15 (16)Br4—Br3—Se154.9 (3)
Pb2xii—Se2—Br2153.7 (2)Pb4—Br3—Se198.7 (2)
Br2xii—Se2—Br2116.88 (17)Se2—Br3—Se1115.35 (19)
O5iii—Se2—Pb3Axiii98.8 (9)Pb2xii—Br3—Se1141.4 (3)
O5—Se2—Pb3Axiii134.6 (9)Pb2—Br3—Se157.10 (9)
O3—Se2—Pb3Axiii34.4 (9)Br7xii—Br3—Se1147.0 (4)
Cu2—Se2—Pb3Axiii60.73 (16)Br7—Br3—Se167.40 (13)
Cu1xii—Se2—Pb3Axiii99.16 (14)Cu4—Br3—Se167.58 (15)
Cu1ix—Se2—Pb3Axiii119.89 (17)Br6iv—Br3—Se188.1 (5)
Br3—Se2—Pb3Axiii146.15 (19)Br6xi—Br3—Se152.7 (3)
Pb2—Se2—Pb3Axiii140.67 (15)Br4—Br3—Se1xii54.9 (3)
Pb2xii—Se2—Pb3Axiii99.41 (12)Pb4—Br3—Se1xii98.7 (2)
Br2xii—Se2—Pb3Axiii48.6 (2)Se2—Br3—Se1xii115.35 (19)
Br2—Se2—Pb3Axiii86.7 (2)Pb2xii—Br3—Se1xii57.10 (9)
O2vii—Cu1—O6vii86.0 (12)Pb2—Br3—Se1xii141.4 (3)
O2vii—Cu1—O1178.4 (12)Br7xii—Br3—Se1xii67.40 (13)
O6vii—Cu1—O195.5 (12)Br7—Br3—Se1xii147.0 (4)
O2vii—Cu1—O5ix94.4 (12)Cu4—Br3—Se1xii67.58 (15)
O6vii—Cu1—O5ix177.4 (11)Br6iv—Br3—Se1xii52.7 (3)
O1—Cu1—O5ix84.0 (12)Br6xi—Br3—Se1xii88.1 (5)
O2vii—Cu1—Cu1xiv34.9 (7)Se1—Br3—Se1xii98.4 (2)
O6vii—Cu1—Cu1xiv96.4 (9)Cu4—Br4—Br3125.7 (11)
O1—Cu1—Cu1xiv144.2 (8)Cu4—Br4—O6iii102.6 (8)
O5ix—Cu1—Cu1xiv82.6 (8)Br3—Br4—O6iii115.6 (9)
O2vii—Cu1—Cu1ix145.1 (7)Cu4—Br4—O6102.6 (8)
O6vii—Cu1—Cu1ix83.6 (9)Br3—Br4—O6115.6 (9)
O1—Cu1—Cu1ix35.8 (8)O6iii—Br4—O687.4 (14)
O5ix—Cu1—Cu1ix97.4 (8)Cu4—Br4—Cu1viii69.9 (5)
Cu1xiv—Cu1—Cu1ix180.0Br3—Br4—Cu1viii149.1 (4)
O2vii—Cu1—Br187.2 (8)O6iii—Br4—Cu1viii35.7 (7)
O6vii—Cu1—Br193.4 (9)O6—Br4—Cu1viii81.0 (9)
O1—Cu1—Br193.1 (8)Cu4—Br4—Cu1vii69.9 (5)
O5ix—Cu1—Br189.1 (8)Br3—Br4—Cu1vii149.1 (4)
Cu1xiv—Cu1—Br1119.69 (9)O6iii—Br4—Cu1vii81.0 (9)
Cu1ix—Cu1—Br160.31 (9)O6—Br4—Cu1vii35.7 (7)
O2vii—Cu1—Se1vii111.8 (9)Cu1viii—Br4—Cu1vii56.7 (4)
O6vii—Cu1—Se1vii25.8 (8)Cu4—Br4—Se1107.2 (4)
O1—Cu1—Se1vii69.8 (9)Br3—Br4—Se191.1 (4)
O5ix—Cu1—Se1vii153.8 (8)O6iii—Br4—Se1114.3 (9)
Cu1xiv—Cu1—Se1vii118.97 (9)O6—Br4—Se129.9 (6)
Cu1ix—Cu1—Se1vii61.03 (9)Cu1viii—Br4—Se1110.4 (6)
Br1—Cu1—Se1vii91.9 (2)Cu1vii—Br4—Se158.0 (3)
O2vii—Cu1—Cu2x32.8 (9)Cu4—Br4—Se1xii107.2 (4)
O6vii—Cu1—Cu2x102.7 (7)Br3—Br4—Se1xii91.1 (4)
O1—Cu1—Cu2x146.7 (9)O6iii—Br4—Se1xii29.9 (6)
O5ix—Cu1—Cu2x78.9 (8)O6—Br4—Se1xii114.3 (9)
Cu1xiv—Cu1—Cu2x61.18 (9)Cu1viii—Br4—Se1xii58.0 (3)
Cu1ix—Cu1—Cu2x118.82 (9)Cu1vii—Br4—Se1xii110.4 (6)
Br1—Cu1—Cu2x58.60 (10)Se1—Br4—Se1xii135.5 (7)
Se1vii—Cu1—Cu2x123.37 (19)Cu4—Br4—Pb1122.6 (8)
O2vii—Cu1—Cu4x93.9 (8)Br3—Br4—Pb1111.7 (8)
O6vii—Cu1—Cu4x87.1 (9)O6iii—Br4—Pb145.7 (7)
O1—Cu1—Cu4x85.8 (8)O6—Br4—Pb145.7 (7)
O5ix—Cu1—Cu4x90.4 (8)Cu1viii—Br4—Pb160.1 (4)
Cu1xiv—Cu1—Cu4x61.31 (8)Cu1vii—Br4—Pb160.1 (4)
Cu1ix—Cu1—Cu4x118.69 (8)Se1—Br4—Pb169.0 (4)
Br1—Cu1—Cu4x178.79 (17)Se1xii—Br4—Pb169.0 (4)
Se1vii—Cu1—Cu4x88.06 (13)Cu4—Br4—Cu355.5 (3)
Cu2x—Cu1—Cu4x122.36 (14)Br3—Br4—Cu3109.3 (5)
O2vii—Cu1—Cu3148.8 (9)O6iii—Br4—Cu3133.9 (9)
O6vii—Cu1—Cu380.9 (7)O6—Br4—Cu363.5 (5)
O1—Cu1—Cu331.5 (8)Cu1viii—Br4—Cu3101.4 (5)
O5ix—Cu1—Cu397.5 (8)Cu1vii—Br4—Cu354.2 (2)
Cu1xiv—Cu1—Cu3118.79 (8)Se1—Br4—Cu353.45 (12)
Cu1ix—Cu1—Cu361.21 (8)Se1xii—Br4—Cu3158.5 (6)
Br1—Cu1—Cu3121.52 (15)Pb1—Br4—Cu3107.7 (4)
Se1vii—Cu1—Cu360.04 (11)Cu4—Br4—Cu3xii55.5 (3)
Cu2x—Cu1—Cu3176.42 (19)Br3—Br4—Cu3xii109.3 (5)
Cu4x—Cu1—Cu357.47 (8)O6iii—Br4—Cu3xii63.5 (5)
O2vii—Cu1—Se2x70.3 (9)O6—Br4—Cu3xii133.9 (9)
O6vii—Cu1—Se2x155.9 (8)Cu1viii—Br4—Cu3xii54.2 (2)
O1—Cu1—Se2x108.1 (9)Cu1vii—Br4—Cu3xii101.4 (5)
O5ix—Cu1—Se2x24.2 (7)Se1—Br4—Cu3xii158.5 (6)
Cu1xiv—Cu1—Se2x61.40 (9)Se1xii—Br4—Cu3xii53.45 (12)
Cu1ix—Cu1—Se2x118.61 (9)Pb1—Br4—Cu3xii107.7 (4)
Br1—Cu1—Se2x90.3 (2)Cu3—Br4—Cu3xii111.1 (5)
Se1vii—Cu1—Se2x177.01 (19)Cu4—Br4—Pb2xii87.9 (5)
Cu2x—Cu1—Se2x59.57 (16)Br3—Br4—Pb2xii59.2 (4)
Cu4x—Cu1—Se2x89.68 (13)O6iii—Br4—Pb2xii86.6 (6)
Cu3—Cu1—Se2x117.03 (15)O6—Br4—Pb2xii168.9 (9)
O2iv—Cu2—O2xv89.9 (18)Cu1viii—Br4—Pb2xii99.36 (16)
O2iv—Cu2—O3xvi173.0 (14)Cu1vii—Br4—Pb2xii151.3 (5)
O2xv—Cu2—O3xvi97.1 (13)Se1—Br4—Pb2xii149.7 (6)
O2iv—Cu2—O397.1 (13)Se1xii—Br4—Pb2xii58.00 (17)
O2xv—Cu2—O3173.0 (14)Pb1—Br4—Pb2xii125.0 (3)
O3xvi—Cu2—O376 (2)Cu3—Br4—Pb2xii126.8 (6)
O2iv—Cu2—Br1xii87.6 (2)Cu3xii—Br4—Pb2xii50.08 (16)
O2xv—Cu2—Br1xii87.6 (2)Br4—Cu4—Br4iv180.0
O3xvi—Cu2—Br1xii92.6 (2)Br4—Cu4—Cu3xii90.0
O3—Cu2—Br1xii92.6 (2)Br4iv—Cu4—Cu3xii90.0
O2iv—Cu2—Br187.6 (2)Br4—Cu4—Cu390.0
O2xv—Cu2—Br187.6 (2)Br4iv—Cu4—Cu390.0
O3xvi—Cu2—Br192.6 (2)Cu3xii—Cu4—Cu3180.0
O3—Cu2—Br192.6 (2)Br4—Cu4—Cu1ix108.3 (5)
Br1xii—Cu2—Br1173.3 (5)Br4iv—Cu4—Cu1ix71.7 (5)
O2iv—Cu2—Se2xvi160.8 (9)Cu3xii—Cu4—Cu1ix118.69 (8)
O2xv—Cu2—Se2xvi70.9 (9)Cu3—Cu4—Cu1ix61.31 (8)
O3xvi—Cu2—Se2xvi26.1 (10)Br4—Cu4—Cu1viii71.7 (5)
O3—Cu2—Se2xvi102.1 (10)Br4iv—Cu4—Cu1viii108.3 (5)
Br1xii—Cu2—Se2xvi91.46 (11)Cu3xii—Cu4—Cu1viii61.31 (8)
Br1—Cu2—Se2xvi91.46 (11)Cu3—Cu4—Cu1viii118.69 (8)
O2iv—Cu2—Se270.9 (9)Cu1ix—Cu4—Cu1viii180.00 (16)
O2xv—Cu2—Se2160.8 (9)Br4—Cu4—Cu1xii108.3 (5)
O3xvi—Cu2—Se2102.1 (10)Br4iv—Cu4—Cu1xii71.7 (5)
O3—Cu2—Se226.1 (10)Cu3xii—Cu4—Cu1xii61.31 (8)
Br1xii—Cu2—Se291.46 (11)Cu3—Cu4—Cu1xii118.69 (8)
Br1—Cu2—Se291.46 (11)Cu1ix—Cu4—Cu1xii57.37 (16)
Se2xvi—Cu2—Se2128.3 (3)Cu1viii—Cu4—Cu1xii122.63 (16)
O2iv—Cu2—Cu1xii32.2 (4)Br4—Cu4—Cu1vii71.7 (5)
O2xv—Cu2—Cu1xii103.1 (8)Br4iv—Cu4—Cu1vii108.3 (5)
O3xvi—Cu2—Cu1xii144.3 (6)Cu3xii—Cu4—Cu1vii118.69 (8)
O3—Cu2—Cu1xii83.0 (9)Cu3—Cu4—Cu1vii61.31 (8)
Br1xii—Cu2—Cu1xii59.54 (14)Cu1ix—Cu4—Cu1vii122.63 (16)
Br1—Cu2—Cu1xii117.11 (19)Cu1viii—Cu4—Cu1vii57.37 (16)
Se2xvi—Cu2—Cu1xii150.91 (8)Cu1xii—Cu4—Cu1vii180.00 (8)
Se2—Cu2—Cu1xii60.57 (11)Br4—Cu4—Br3iv151.8 (6)
O2iv—Cu2—Cu1xxiii103.1 (8)Br4iv—Cu4—Br3iv28.2 (6)
O2xv—Cu2—Cu1xxiii32.2 (4)Cu3xii—Cu4—Br3iv90.0
O3xvi—Cu2—Cu1xxiii83.0 (9)Cu3—Cu4—Br3iv90.0
O3—Cu2—Cu1xxiii144.3 (6)Cu1ix—Cu4—Br3iv96.41 (15)
Br1xii—Cu2—Cu1xxiii117.11 (19)Cu1viii—Cu4—Br3iv83.59 (15)
Br1—Cu2—Cu1xxiii59.54 (14)Cu1xii—Cu4—Br3iv96.41 (15)
Se2xvi—Cu2—Cu1xxiii60.57 (11)Cu1vii—Cu4—Br3iv83.59 (15)
Se2—Cu2—Cu1xxiii150.91 (8)Br4—Cu4—Br328.2 (6)
Cu1xii—Cu2—Cu1xxiii128.0 (3)Br4iv—Cu4—Br3151.8 (6)
O2iv—Cu2—Cu1ix32.2 (4)Cu3xii—Cu4—Br390.0
O2xv—Cu2—Cu1ix103.1 (8)Cu3—Cu4—Br390.0
O3xvi—Cu2—Cu1ix144.3 (6)Cu1ix—Cu4—Br383.59 (15)
O3—Cu2—Cu1ix83.0 (9)Cu1viii—Cu4—Br396.41 (15)
Br1xii—Cu2—Cu1ix117.11 (19)Cu1xii—Cu4—Br383.59 (15)
Br1—Cu2—Cu1ix59.54 (14)Cu1vii—Cu4—Br396.41 (15)
Se2xvi—Cu2—Cu1ix150.91 (8)Br3iv—Cu4—Br3180.0
Se2—Cu2—Cu1ix60.57 (11)Br3—Pb4—Br3xxvi98.0 (5)
Cu1xii—Cu2—Cu1ix57.65 (17)Br3—Pb4—Br6iv85.9 (3)
Cu1xxiii—Cu2—Cu1ix98.7 (2)Br3xxvi—Pb4—Br6iv149.9 (6)
O2iv—Cu2—Cu1xxiv103.1 (8)Br3—Pb4—Br6xi85.9 (3)
O2xv—Cu2—Cu1xxiv32.2 (4)Br3xxvi—Pb4—Br6xi149.9 (6)
O3xvi—Cu2—Cu1xxiv83.0 (9)Br6iv—Pb4—Br6xi59.8 (12)
O3—Cu2—Cu1xxiv144.3 (6)Br3—Pb4—Br6xviii149.9 (6)
Br1xii—Cu2—Cu1xxiv59.54 (14)Br3xxvi—Pb4—Br6xviii85.9 (3)
Br1—Cu2—Cu1xxiv117.11 (19)Br6iv—Pb4—Br6xviii76.8 (8)
Se2xvi—Cu2—Cu1xxiv60.57 (11)Br6xi—Pb4—Br6xviii105.6 (6)
Se2—Cu2—Cu1xxiv150.91 (8)Br3—Pb4—Br6xix149.9 (6)
Cu1xii—Cu2—Cu1xxiv98.7 (2)Br3xxvi—Pb4—Br6xix85.9 (3)
Cu1xxiii—Cu2—Cu1xxiv57.65 (17)Br6iv—Pb4—Br6xix105.6 (6)
Cu1ix—Cu2—Cu1xxiv128.0 (3)Br6xi—Pb4—Br6xix76.8 (8)
O1vii—Cu3—O1180.0Br6xviii—Pb4—Br6xix59.8 (12)
O1vii—Cu3—O4vii86.3 (13)Br3—Pb4—Br776.7 (2)
O1—Cu3—O4vii93.7 (13)Br3xxvi—Pb4—Br776.7 (2)
O1vii—Cu3—O493.7 (13)Br6iv—Pb4—Br7132.8 (6)
O1—Cu3—O486.3 (13)Br6xi—Pb4—Br775.3 (6)
O4vii—Cu3—O4180.0Br6xviii—Pb4—Br7132.8 (6)
O1vii—Cu3—Cu4x90.0Br6xix—Pb4—Br775.3 (6)
O1—Cu3—Cu4x90.0Br3—Pb4—Br7xii76.7 (2)
O4vii—Cu3—Cu4x90.0Br3xxvi—Pb4—Br7xii76.7 (2)
O4—Cu3—Cu4x90.0Br6iv—Pb4—Br7xii75.3 (6)
O1vii—Cu3—Cu490.0Br6xi—Pb4—Br7xii132.8 (6)
O1—Cu3—Cu490.0Br6xviii—Pb4—Br7xii75.3 (6)
O4vii—Cu3—Cu490.0Br6xix—Pb4—Br7xii132.8 (6)
O4—Cu3—Cu490.0Br7—Pb4—Br7xii138.9 (7)
Cu4x—Cu3—Cu4180.0Br3—Pb4—Pb4xx131.0 (3)
O1vii—Cu3—Se169.8 (9)Br3xxvi—Pb4—Pb4xx131.0 (3)
O1—Cu3—Se1110.2 (9)Br6iv—Pb4—Pb4xx52.8 (3)
O4vii—Cu3—Se1156.1 (10)Br6xi—Pb4—Pb4xx52.8 (3)
O4—Cu3—Se123.9 (10)Br6xviii—Pb4—Pb4xx52.8 (3)
Cu4x—Cu3—Se190.0Br6xix—Pb4—Pb4xx52.8 (3)
Cu4—Cu3—Se190.0Br7—Pb4—Pb4xx110.6 (3)
O1vii—Cu3—Se1vii110.2 (9)Br7xii—Pb4—Pb4xx110.6 (3)
O1—Cu3—Se1vii69.8 (9)Br6iii—Br6—Pb4iv60.1 (6)
O4vii—Cu3—Se1vii23.9 (10)Br6iii—Br6—Pb4xxii60.1 (6)
O4—Cu3—Se1vii156.1 (10)Pb4iv—Br6—Pb4xxii74.4 (6)
Cu4x—Cu3—Se1vii90.0Br6iii—Br6—Br6ix180.0
Cu4—Cu3—Se1vii90.0Pb4iv—Br6—Br6ix119.9 (6)
Se1—Cu3—Se1vii180.0Pb4xxii—Br6—Br6ix119.9 (6)
O1vii—Cu3—Cu1147.9 (4)Br6iii—Br6—Se1xv115.9 (5)
O1—Cu3—Cu132.1 (4)Pb4iv—Br6—Se1xv175.4 (11)
O4vii—Cu3—Cu180.1 (8)Pb4xxii—Br6—Se1xv105.79 (18)
O4—Cu3—Cu199.9 (8)Br6ix—Br6—Se1xv64.1 (5)
Cu4x—Cu3—Cu161.21 (8)Br6iii—Br6—Se1vii115.9 (5)
Cu4—Cu3—Cu1118.79 (8)Pb4iv—Br6—Se1vii105.79 (18)
Se1—Cu3—Cu1120.31 (11)Pb4xxii—Br6—Se1vii175.4 (11)
Se1vii—Cu3—Cu159.69 (11)Br6ix—Br6—Se1vii64.1 (5)
O1vii—Cu3—Cu1vii32.1 (4)Se1xv—Br6—Se1vii73.6 (4)
O1—Cu3—Cu1vii147.9 (4)Br6iii—Br6—Pb1iv65.7 (5)
O4vii—Cu3—Cu1vii99.9 (8)Pb4iv—Br6—Pb1iv111.2 (8)
O4—Cu3—Cu1vii80.1 (8)Pb4xxii—Br6—Pb1iv111.2 (8)
Cu4x—Cu3—Cu1vii118.79 (8)Br6ix—Br6—Pb1iv114.3 (5)
Cu4—Cu3—Cu1vii61.21 (8)Se1xv—Br6—Pb1iv64.4 (2)
Se1—Cu3—Cu1vii59.69 (11)Se1vii—Br6—Pb1iv64.4 (2)
Se1vii—Cu3—Cu1vii120.31 (11)Br6iii—Br6—Br6xxi89.999 (1)
Cu1—Cu3—Cu1vii180.0Pb4iv—Br6—Br6xxi51.6 (4)
O1vii—Cu3—Cu1ix147.9 (4)Pb4xxii—Br6—Br6xxi51.6 (4)
O1—Cu3—Cu1ix32.1 (4)Br6ix—Br6—Br6xxi90.0
O4vii—Cu3—Cu1ix80.1 (8)Se1xv—Br6—Br6xxi132.2 (3)
O4—Cu3—Cu1ix99.9 (8)Se1vii—Br6—Br6xxi132.2 (3)
Cu4x—Cu3—Cu1ix118.79 (8)Pb1iv—Br6—Br6xxi155.7 (5)
Cu4—Cu3—Cu1ix61.21 (8)Br6iii—Br6—Br7vii113.8 (5)
Se1—Cu3—Cu1ix120.31 (11)Pb4iv—Br6—Br7vii55.2 (2)
Se1vii—Cu3—Cu1ix59.69 (11)Pb4xxii—Br6—Br7vii111.4 (4)
Cu1—Cu3—Cu1ix57.58 (16)Br6ix—Br6—Br7vii66.2 (5)
Cu1vii—Cu3—Cu1ix122.42 (16)Se1xv—Br6—Br7vii128.0 (9)
O1vii—Cu3—Cu1xi32.1 (4)Se1vii—Br6—Br7vii71.8 (3)
O1—Cu3—Cu1xi147.9 (4)Pb1iv—Br6—Br7vii127.7 (2)
O4vii—Cu3—Cu1xi99.9 (8)Br6xxi—Br6—Br7vii60.8 (2)
O4—Cu3—Cu1xi80.1 (8)Br6iii—Br6—Br7xxii113.8 (5)
Cu4x—Cu3—Cu1xi61.21 (8)Pb4iv—Br6—Br7xxii111.4 (4)
Cu4—Cu3—Cu1xi118.79 (8)Pb4xxii—Br6—Br7xxii55.2 (2)
Se1—Cu3—Cu1xi59.69 (11)Br6ix—Br6—Br7xxii66.2 (5)
Se1vii—Cu3—Cu1xi120.31 (11)Se1xv—Br6—Br7xxii71.8 (3)
Cu1—Cu3—Cu1xi122.42 (16)Se1vii—Br6—Br7xxii128.0 (9)
Cu1vii—Cu3—Cu1xi57.58 (16)Pb1iv—Br6—Br7xxii127.7 (2)
Cu1ix—Cu3—Cu1xi180.00 (8)Br6xxi—Br6—Br7xxii60.8 (2)
Cu3—O1—Cu1116.4 (10)Br7vii—Br6—Br7xxii101.4 (7)
Cu3—O1—Cu1ix116.4 (10)Br6iii—Br6—Br3iv67.7 (5)
Cu1—O1—Cu1ix108.4 (15)Pb4iv—Br6—Br3iv44.8 (3)
Cu3—O1—Pb2105.2 (14)Pb4xxii—Br6—Br3iv114.0 (8)
Cu1—O1—Pb2104.5 (10)Br6ix—Br6—Br3iv112.3 (5)
Cu1ix—O1—Pb2104.5 (10)Se1xv—Br6—Br3iv132.7 (4)
Cu1vii—O2—Cu1viii110.1 (15)Se1vii—Br6—Br3iv64.61 (16)
Cu1vii—O2—Cu2iv115.0 (10)Pb1iv—Br6—Br3iv77.8 (4)
Cu1viii—O2—Cu2iv115.0 (10)Br6xxi—Br6—Br3iv93.5 (3)
Cu1vii—O2—Pb1108.3 (10)Br7vii—Br6—Br3iv57.87 (19)
Cu1viii—O2—Pb1108.3 (10)Br7xxii—Br6—Br3iv153.8 (5)
Cu2iv—O2—Pb199.1 (12)Br6iii—Br6—Br3xv67.7 (5)
Se2—O3—Cu2123.5 (19)Pb4iv—Br6—Br3xv114.0 (8)
Se2—O3—Pb3Axiii122.7 (14)Pb4xxii—Br6—Br3xv44.8 (3)
Cu2—O3—Pb3Axiii104.4 (13)Br6ix—Br6—Br3xv112.3 (5)
Se2—O3—Pb3A122.7 (14)Se1xv—Br6—Br3xv64.61 (16)
Cu2—O3—Pb3A104.4 (13)Se1vii—Br6—Br3xv132.7 (4)
Pb3Axiii—O3—Pb3A63.7 (9)Pb1iv—Br6—Br3xv77.8 (4)
Se1—O4—Cu3128.5 (19)Br6xxi—Br6—Br3xv93.5 (3)
Se1—O4—Pb2129.5 (18)Br7vii—Br6—Br3xv153.8 (5)
Cu3—O4—Pb2101.9 (14)Br7xxii—Br6—Br3xv57.87 (19)
Se2—O5—Cu1ix127.6 (14)Br3iv—Br6—Br3xv134.9 (9)
Se2—O5—Pb2127.9 (13)Pb4x—Br7—Pb4138.9 (7)
Cu1ix—O5—Pb2104.2 (11)Pb4x—Br7—Pb2103.83 (17)
Se1—O6—Cu1vii125.1 (14)Pb4—Br7—Pb2103.83 (17)
Se1—O6—Pb1133.0 (13)Pb4x—Br7—Pb2xxvi103.83 (17)
Cu1vii—O6—Pb199.6 (11)Pb4—Br7—Pb2xxvi103.83 (17)
Se1—O6—Br4102.0 (13)Pb2—Br7—Pb2xxvi94.2 (4)
Cu1vii—O6—Br492.9 (12)Pb4x—Br7—Br3145.2 (2)
Pb1—O6—Br488.2 (10)Pb4—Br7—Br346.22 (16)
Pb3B—Br1—Cu286.6 (3)Pb2—Br7—Br357.64 (17)
Pb3B—Br1—Cu2x86.6 (3)Pb2xxvi—Br7—Br3106.6 (3)
Cu2—Br1—Cu2x173.3 (5)Pb4x—Br7—Br3xxvii46.22 (16)
Pb3B—Br1—Cu1ix113.0 (2)Pb4—Br7—Br3xxvii145.2 (2)
Cu2—Br1—Cu1ix61.86 (12)Pb2—Br7—Br3xxvii106.6 (3)
Cu2x—Br1—Cu1ix121.15 (16)Pb2xxvi—Br7—Br3xxvii57.64 (17)
Pb3B—Br1—Cu1xxv113.0 (2)Br3—Br7—Br3xxvii158.8 (6)
Cu2—Br1—Cu1xxv121.15 (16)Pb4x—Br7—Br3x46.22 (16)
Cu2x—Br1—Cu1xxv61.86 (12)Pb4—Br7—Br3x145.2 (2)
Cu1ix—Br1—Cu1xxv134.0 (4)Pb2—Br7—Br3x57.64 (17)
Pb3B—Br1—Cu1xxiii113.0 (2)Pb2xxvi—Br7—Br3x106.6 (3)
Cu2—Br1—Cu1xxiii61.86 (12)Br3—Br7—Br3x107.8 (3)
Cu2x—Br1—Cu1xxiii121.15 (16)Br3xxvii—Br7—Br3x68.1 (3)
Cu1ix—Br1—Cu1xxiii101.8 (3)Pb4x—Br7—Br3xxvi145.2 (2)
Cu1xxv—Br1—Cu1xxiii59.38 (19)Pb4—Br7—Br3xxvi46.22 (16)
Pb3B—Br1—Cu1113.0 (2)Pb2—Br7—Br3xxvi106.6 (3)
Cu2—Br1—Cu1121.15 (16)Pb2xxvi—Br7—Br3xxvi57.64 (17)
Cu2x—Br1—Cu161.86 (12)Br3—Br7—Br3xxvi68.1 (3)
Cu1ix—Br1—Cu159.38 (19)Br3xxvii—Br7—Br3xxvi107.8 (3)
Cu1xxv—Br1—Cu1101.8 (3)Br3x—Br7—Br3xxvi158.8 (6)
Cu1xxiii—Br1—Cu1134.0 (4)Pb4x—Br7—Br6xi96.1 (6)
Pb3B—Br1—Pb3A27.85 (13)Pb4—Br7—Br6xi49.5 (5)
Cu2—Br1—Pb3A58.8 (2)Pb2—Br7—Br6xi99.7 (2)
Cu2x—Br1—Pb3A114.5 (3)Pb2xxvi—Br7—Br6xi152.2 (4)
Cu1ix—Br1—Pb3A96.53 (16)Br3—Br7—Br6xi62.8 (4)
Cu1xxv—Br1—Pb3A125.2 (2)Br3xxvii—Br7—Br6xi137.9 (6)
Cu1xxiii—Br1—Pb3A96.53 (16)Br3x—Br7—Br6xi101.2 (4)
Cu1—Br1—Pb3A125.2 (2)Br3xxvi—Br7—Br6xi95.1 (5)
Pb3B—Br1—Pb3Axvii27.85 (13)Pb4x—Br7—Br6vii49.5 (5)
Cu2—Br1—Pb3Axvii114.5 (3)Pb4—Br7—Br6vii96.1 (6)
Cu2x—Br1—Pb3Axvii58.8 (2)Pb2—Br7—Br6vii99.7 (2)
Cu1ix—Br1—Pb3Axvii125.2 (2)Pb2xxvi—Br7—Br6vii152.2 (4)
Cu1xxv—Br1—Pb3Axvii96.53 (16)Br3—Br7—Br6vii101.2 (4)
Cu1xxiii—Br1—Pb3Axvii125.2 (2)Br3xxvii—Br7—Br6vii95.1 (5)
Cu1—Br1—Pb3Axvii96.53 (16)Br3x—Br7—Br6vii62.8 (4)
Pb3A—Br1—Pb3Axvii55.7 (3)Br3xxvi—Br7—Br6vii137.9 (6)
Pb3B—Br1—Br235.00 (19)Br6xi—Br7—Br6vii47.6 (9)
Cu2—Br1—Br287.3 (2)Pb4x—Br7—Br6xix96.1 (6)
Cu2x—Br1—Br287.3 (2)Pb4—Br7—Br6xix49.5 (5)
Cu1ix—Br1—Br282.80 (19)Pb2—Br7—Br6xix152.2 (4)
Cu1xxv—Br1—Br2139.9 (3)Pb2xxvi—Br7—Br6xix99.7 (2)
Cu1xxiii—Br1—Br2139.9 (3)Br3—Br7—Br6xix95.1 (5)
Cu1—Br1—Br282.80 (19)Br3xxvii—Br7—Br6xix101.2 (4)
Pb3A—Br1—Br243.59 (17)Br3x—Br7—Br6xix137.9 (6)
Pb3Axvii—Br1—Br243.59 (17)Br3xxvi—Br7—Br6xix62.8 (4)
Pb3B—Br1—Br2xvii35.00 (19)Br6xi—Br7—Br6xix58.5 (5)
Cu2—Br1—Br2xvii87.3 (2)Br6vii—Br7—Br6xix78.6 (7)
Cu2x—Br1—Br2xvii87.3 (2)Pb4x—Br7—Br6xxviii49.5 (5)
Cu1ix—Br1—Br2xvii139.9 (3)Pb4—Br7—Br6xxviii96.1 (6)
Cu1xxv—Br1—Br2xvii82.80 (19)Pb2—Br7—Br6xxviii152.2 (4)
Cu1xxiii—Br1—Br2xvii82.80 (19)Pb2xxvi—Br7—Br6xxviii99.7 (2)
Cu1—Br1—Br2xvii139.9 (3)Br3—Br7—Br6xxviii137.9 (6)
Pb3A—Br1—Br2xvii43.59 (17)Br3xxvii—Br7—Br6xxviii62.8 (4)
Pb3Axvii—Br1—Br2xvii43.59 (17)Br3x—Br7—Br6xxviii95.1 (5)
Br2—Br1—Br2xvii70.0 (4)Br3xxvi—Br7—Br6xxviii101.2 (4)
Pb3B—Br1—Pb1iv134.50 (11)Br6xi—Br7—Br6xxviii78.6 (7)
Cu2—Br1—Pb1iv47.85 (19)Br6vii—Br7—Br6xxviii58.5 (5)
Cu2x—Br1—Pb1iv138.9 (4)Br6xix—Br7—Br6xxviii47.6 (9)
Cu1ix—Br1—Pb1iv51.18 (13)
O5iii—Se2—O3—Cu252.4 (9)O5iii—Se2—O5—Cu1ix46 (2)
O5—Se2—O3—Cu252.4 (9)O3—Se2—O5—Cu1ix58 (2)
Cu1xii—Se2—O3—Cu228.68 (9)Cu2—Se2—O5—Cu1ix34.4 (15)
Cu1ix—Se2—O3—Cu228.68 (9)Cu1xii—Se2—O5—Cu1ix26.1 (15)
Pb2—Se2—O3—Cu279.5 (7)Br3—Se2—O5—Cu1ix121.2 (17)
Pb2xii—Se2—O3—Cu279.5 (7)Pb2—Se2—O5—Cu1ix173 (3)
Br2xii—Se2—O3—Cu2120.10 (18)Pb2xii—Se2—O5—Cu1ix73.9 (18)
Br2—Se2—O3—Cu2120.10 (18)Br2—Se2—O5—Cu1ix133.3 (19)
Pb3Axiii—Se2—O3—Cu2141.2 (11)Pb3Axiii—Se2—O5—Cu1ix69 (2)
O5iii—Se2—O3—Pb3Axiii88.8 (15)O5iii—Se2—O5—Pb2127.0 (11)
O5—Se2—O3—Pb3Axiii166.4 (12)O3—Se2—O5—Pb2128.5 (17)
Cu2—Se2—O3—Pb3Axiii141.2 (11)Cu2—Se2—O5—Pb2152.4 (16)
Cu1xii—Se2—O3—Pb3Axiii112.5 (10)Cu1xii—Se2—O5—Pb2147.1 (16)
Cu1ix—Se2—O3—Pb3Axiii169.8 (11)Cu1ix—Se2—O5—Pb2173 (3)
Pb2—Se2—O3—Pb3Axiii139.4 (5)Br3—Se2—O5—Pb252.0 (14)
Pb2xii—Se2—O3—Pb3Axiii61.7 (17)Pb2xii—Se2—O5—Pb299.4 (15)
Br2xii—Se2—O3—Pb3Axiii21.1 (9)Br2—Se2—O5—Pb253.5 (13)
Br2—Se2—O3—Pb3Axiii98.7 (12)Pb3Axiii—Se2—O5—Pb2117.8 (13)
O5iii—Se2—O3—Pb3A166.4 (12)O4—Se1—O6—Cu1vii56 (2)
O5—Se2—O3—Pb3A88.8 (15)O6ix—Se1—O6—Cu1vii48 (3)
Cu2—Se2—O3—Pb3A141.2 (11)Cu1xi—Se1—O6—Cu1vii26.8 (17)
Cu1xii—Se2—O3—Pb3A169.8 (11)Cu3—Se1—O6—Cu1vii33.9 (17)
Cu1ix—Se2—O3—Pb3A112.5 (10)Br4x—Se1—O6—Cu1vii12 (3)
Pb2—Se2—O3—Pb3A61.7 (17)Br4—Se1—O6—Cu1vii102 (2)
Pb2xii—Se2—O3—Pb3A139.4 (5)Br6vii—Se1—O6—Cu1vii143.7 (13)
Br2xii—Se2—O3—Pb3A98.7 (12)Br6xi—Se1—O6—Cu1vii176.4 (19)
Br2—Se2—O3—Pb3A21.1 (9)Pb2—Se1—O6—Cu1vii82 (2)
Pb3Axiii—Se2—O3—Pb3A78 (2)Pb1—Se1—O6—Cu1vii159 (4)
O6ix—Se1—O4—Cu353.0 (10)O4—Se1—O6—Pb1145 (2)
O6—Se1—O4—Cu353.0 (10)O6ix—Se1—O6—Pb1110.7 (18)
Cu1vii—Se1—O4—Cu329.15 (11)Cu1vii—Se1—O6—Pb1159 (4)
Cu1xi—Se1—O4—Cu329.15 (11)Cu1xi—Se1—O6—Pb1132 (2)
Br4x—Se1—O4—Cu388.7 (6)Cu3—Se1—O6—Pb1167 (2)
Br4—Se1—O4—Cu388.7 (6)Br4x—Se1—O6—Pb1147.0 (12)
Br6vii—Se1—O4—Cu3146.4 (8)Br4—Se1—O6—Pb199 (2)
Br6xi—Se1—O4—Cu3146.4 (8)Br6vii—Se1—O6—Pb115 (3)
Pb2—Se1—O4—Cu3180.0Br6xi—Se1—O6—Pb117.5 (19)
Pb1—Se1—O4—Cu371.8 (8)Pb2—Se1—O6—Pb1118.7 (17)
O6ix—Se1—O4—Pb2127.0 (10)O4—Se1—O6—Br446.5 (14)
O6—Se1—O4—Pb2127.0 (10)O6ix—Se1—O6—Br4150.4 (8)
Cu1vii—Se1—O4—Pb2150.85 (11)Cu1vii—Se1—O6—Br4102 (2)
Cu1xi—Se1—O4—Pb2150.85 (11)Cu1xi—Se1—O6—Br4129.0 (9)
Cu3—Se1—O4—Pb2180.0Cu3—Se1—O6—Br468.4 (8)
Br4x—Se1—O4—Pb291.3 (6)Br4x—Se1—O6—Br4114.2 (16)
Br4—Se1—O4—Pb291.3 (6)Br6vii—Se1—O6—Br4114.0 (11)
Br6vii—Se1—O4—Pb233.6 (8)Br6xi—Se1—O6—Br481.4 (9)
Br6xi—Se1—O4—Pb233.6 (8)Pb2—Se1—O6—Br419.8 (13)
Pb1—Se1—O4—Pb2108.2 (8)Pb1—Se1—O6—Br499 (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, z1; (xi) x+1/2, y+1/2, z; (xii) x, y, z+1; (xiii) x, y, z+1; (xiv) x, y, z1; (xv) x+1/2, y1/2, z; (xvi) x, y, z+1; (xvii) x, y, z; (xviii) x1/2, y+1/2, z+1; (xix) x1/2, y+1/2, z; (xx) x, y+1, z+1; (xxi) x+1, y, z; (xxii) x+1/2, y1/2, z; (xxiii) x, y, z; (xxiv) x, y, z+1; (xxv) x, y, z; (xxvi) x, y, z; (xxvii) x, y, z1; (xxviii) x1/2, y+1/2, z.
 

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