Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520618001488/um5011sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520618001488/um5011Isup2.hkl | |
Portable Document Format (PDF) file https://doi.org/10.1107/S2052520618001488/um5011sup3.pdf |
CCDC reference: 1583592
Data collection: CrystalClear (Rigaku Inc., 2008); cell refinement: CrystalClear (Rigaku Inc., 2008); data reduction: CrystalClear (Rigaku Inc., 2008); program(s) used to solve structure: ????; program(s) used to refine structure: SHELXL (Sheldrick, 2015); molecular graphics: Olex2 (Dolomanov et al., 2009); software used to prepare material for publication: Olex2 (Dolomanov et al., 2009).
B4Er6O15 | F(000) = 2172 |
Mr = 1287.04 | Dx = 7.429 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 8.3553 (5) Å | Cell parameters from 2561 reflections |
b = 15.4882 (9) Å | θ = 2.3–27.6° |
c = 8.8208 (6) Å | µ = 43.72 mm−1 |
β = 91.899 (4)° | T = 293 K |
V = 1140.86 (12) Å3 | Prism, pink |
Z = 4 | 0.6 × 0.45 × 0.1 mm |
Mercury70 (2x2 bin mode) diffractometer | 2620 independent reflections |
Radiation source: Sealed Tube | 2035 reflections with I > 2σ(I) |
Graphite Monochromator monochromator | Rint = 0.069 |
Detector resolution: 14.6306 pixels mm-1 | θmax = 27.5°, θmin = 2.6° |
CCD_Profile_fitting scans | h = −10→10 |
Absorption correction: multi-scan | k = −20→20 |
Tmin = 0.342, Tmax = 1.000 | l = −11→11 |
8678 measured reflections |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.186P)2 + 147.964P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.053 | (Δ/σ)max < 0.001 |
wR(F2) = 0.137 | Δρmax = 1.06 e Å−3 |
S = 1.04 | Δρmin = −1.07 e Å−3 |
2620 reflections | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
128 parameters | Extinction coefficient: 0.0017 (3) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | ||
Er1 | 0.1991 (2) | 0.00367 (11) | 0.93909 (17) | 0.0074 (5) | |
Er2 | 0.1442 (2) | 0.17793 (11) | 1.19306 (18) | 0.0078 (5) | |
Er5 | 0.4573 (2) | −0.17469 (11) | 0.94590 (19) | 0.0108 (5) | |
Er3 | 0.4483 (2) | −0.01325 (11) | 1.28407 (18) | 0.0093 (5) | |
Er4 | 0.0764 (2) | −0.16594 (11) | 1.16681 (18) | 0.0088 (5) | |
Er6 | 0.2238 (2) | −0.14521 (11) | 0.57689 (18) | 0.0098 (5) | |
O10 | 0.340 (3) | −0.0787 (14) | 0.781 (2) | 0.001* | |
O4 | 0.342 (3) | 0.0839 (15) | 1.125 (2) | 0.001* | |
O9 | 0.148 (3) | −0.2289 (15) | 1.379 (2) | 0.001* | |
O13 | −0.033 (3) | −0.0861 (14) | 0.618 (2) | 0.001* | |
O7 | 0.303 (3) | −0.1005 (14) | 1.105 (2) | 0.001* | |
O5 | 0.005 (3) | 0.0916 (15) | 1.040 (2) | 0.001* | |
O1 | 0.052 (3) | 0.2708 (14) | 0.994 (2) | 0.001* | |
O2 | 0.285 (3) | 0.2052 (14) | 1.423 (2) | 0.001* | |
O12 | 0.060 (3) | −0.2512 (14) | 0.679 (2) | 0.001* | |
O11 | 0.315 (3) | −0.2758 (14) | 0.773 (2) | 0.001* | |
O14 | 0.211 (3) | −0.0339 (14) | 0.407 (2) | 0.001* | |
O8 | −0.039 (3) | −0.0508 (15) | 1.275 (2) | 0.001* | |
O3 | 0.460 (3) | 0.0868 (14) | 1.490 (2) | 0.001* | |
O6 | 0.649 (3) | −0.1065 (15) | 1.200 (2) | 0.001* | |
B3 | 0.173 (5) | −0.306 (2) | 0.721 (4) | 0.001* | |
B1 | 0.428 (5) | 0.174 (2) | 1.476 (4) | 0.001* | |
B2 | 0.069 (5) | 0.001 (2) | 1.361 (4) | 0.001* | |
O15 | −0.175 (4) | −0.103 (2) | 0.436 (4) | 0.035 (8)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Er1 | 0.0073 (5) | 0.0074 (5) | 0.0074 (5) | 0.00001 (10) | 0.00035 (10) | −0.00004 (10) |
Er2 | 0.0078 (5) | 0.0078 (5) | 0.0079 (5) | 0.00000 (10) | 0.00034 (10) | −0.00001 (10) |
Er5 | 0.0108 (5) | 0.0109 (5) | 0.0108 (5) | 0.00008 (10) | 0.00041 (10) | −0.00002 (10) |
Er3 | 0.0092 (5) | 0.0093 (5) | 0.0093 (5) | 0.00000 (10) | 0.00038 (10) | 0.00002 (10) |
Er4 | 0.0088 (5) | 0.0088 (5) | 0.0089 (5) | 0.00001 (10) | 0.00035 (10) | 0.00003 (10) |
Er6 | 0.0098 (5) | 0.0098 (5) | 0.0099 (5) | −0.00001 (10) | 0.00038 (10) | −0.00002 (10) |
Er1—Er1i | 3.531 (4) | Er4—O1i | 2.39 (2) |
Er1—Er3ii | 3.600 (3) | Er4—O2ix | 2.45 (2) |
Er1—Er4i | 3.514 (2) | Er4—O11x | 2.57 (2) |
Er1—Er6 | 3.951 (2) | Er4—O8 | 2.25 (2) |
Er1—O10 | 2.25 (2) | Er4—B1ix | 2.78 (4) |
Er1—O4 | 2.35 (2) | Er6—Er2xi | 3.816 (2) |
Er1—O7 | 2.33 (2) | Er6—Er2i | 3.774 (3) |
Er1—O5 | 2.32 (2) | Er6—Er5xii | 3.729 (2) |
Er1—O5i | 2.27 (2) | Er6—Er4xiii | 3.796 (2) |
Er1—O8i | 2.39 (2) | Er6—O10 | 2.27 (2) |
Er1—O6ii | 2.40 (2) | Er6—O9xiii | 2.25 (2) |
Er2—Er5ii | 3.587 (3) | Er6—O13 | 2.37 (2) |
Er2—Er4iii | 3.554 (2) | Er6—O1xi | 2.38 (2) |
Er2—Er4i | 3.622 (2) | Er6—O12 | 2.34 (2) |
Er2—Er6iv | 3.816 (2) | Er6—O14 | 2.28 (2) |
Er2—Er6i | 3.774 (3) | Er6—O3ii | 2.87 (3) |
Er2—O4 | 2.30 (2) | Er6—B1ii | 3.00 (4) |
Er2—O9iii | 2.36 (2) | O10—Er3ii | 2.36 (2) |
Er2—O13i | 2.40 (2) | O4—Er5ii | 2.29 (2) |
Er2—O5 | 2.20 (2) | O9—Er2ix | 2.36 (2) |
Er2—O1 | 2.38 (2) | O9—Er5x | 2.27 (2) |
Er2—O2 | 2.35 (2) | O9—Er6vii | 2.25 (2) |
Er2—O12i | 2.36 (2) | O13—Er2i | 2.40 (2) |
Er5—Er2ii | 3.587 (3) | O13—B2i | 1.37 (4) |
Er5—Er3ii | 3.649 (2) | O5—Er1i | 2.27 (2) |
Er5—Er4 | 3.788 (3) | O5—Er4i | 2.25 (2) |
Er5—Er4v | 3.648 (2) | O1—Er4i | 2.39 (2) |
Er5—Er6vi | 3.729 (2) | O1—Er6iv | 2.38 (2) |
Er5—O10 | 2.28 (2) | O1—B1xiv | 1.35 (4) |
Er5—O4ii | 2.29 (2) | O2—Er4iii | 2.45 (2) |
Er5—O9v | 2.27 (2) | O2—B1 | 1.35 (4) |
Er5—O7 | 2.25 (2) | O12—Er2i | 2.36 (2) |
Er5—O12vi | 2.48 (2) | O12—Er5xii | 2.48 (2) |
Er5—O11 | 2.46 (2) | O12—B3 | 1.32 (4) |
Er5—B3vi | 2.99 (3) | O11—Er4v | 2.57 (2) |
Er3—Er1ii | 3.600 (3) | O11—B3 | 1.34 (4) |
Er3—Er5ii | 3.649 (2) | O14—Er3xiii | 2.31 (3) |
Er3—Er6ii | 3.849 (2) | O14—B2xiii | 1.35 (4) |
Er3—Er6vii | 3.833 (3) | O8—Er1i | 2.39 (2) |
Er3—O10ii | 2.36 (2) | O8—B2 | 1.40 (4) |
Er3—O4 | 2.22 (2) | O3—Er3viii | 2.40 (2) |
Er3—O7 | 2.38 (2) | O3—Er6ii | 2.87 (3) |
Er3—O14vii | 2.31 (3) | O3—B1 | 1.38 (4) |
Er3—O3 | 2.38 (2) | O6—Er1ii | 2.40 (2) |
Er3—O3viii | 2.40 (2) | O6—B3vi | 1.38 (4) |
Er3—O6 | 2.35 (2) | B3—Er5xii | 2.99 (3) |
Er4—Er1i | 3.514 (2) | B3—O6xii | 1.38 (4) |
Er4—Er2i | 3.622 (2) | B1—Er4iii | 2.78 (4) |
Er4—Er2ix | 3.554 (2) | B1—Er6ii | 3.00 (4) |
Er4—Er5x | 3.648 (2) | B1—O1xv | 1.35 (4) |
Er4—O9 | 2.17 (2) | B2—O13i | 1.37 (4) |
Er4—O7 | 2.23 (3) | B2—O14vii | 1.35 (4) |
Er4—O5i | 2.25 (2) | ||
Er1i—Er1—Er3ii | 164.56 (8) | O3viii—Er3—Er5ii | 140.5 (6) |
Er1i—Er1—Er6 | 107.60 (7) | O3viii—Er3—Er5 | 108.6 (5) |
Er3ii—Er1—Er6 | 61.07 (5) | O3—Er3—Er5 | 176.5 (6) |
Er4i—Er1—Er1i | 59.23 (6) | O3—Er3—Er5ii | 84.3 (5) |
Er4i—Er1—Er3ii | 111.46 (6) | O3viii—Er3—Er6ii | 80.4 (6) |
Er4i—Er1—Er6 | 104.70 (5) | O3viii—Er3—Er6vii | 48.4 (6) |
O10—Er1—Er1i | 133.5 (6) | O3—Er3—Er6ii | 48.1 (6) |
O10—Er1—Er3ii | 39.7 (6) | O3—Er3—Er6vii | 81.0 (6) |
O10—Er1—Er4i | 126.3 (5) | O3—Er3—O3viii | 70.8 (9) |
O10—Er1—Er6 | 29.1 (6) | O6—Er3—Er1ii | 41.3 (6) |
O10—Er1—O4 | 117.9 (8) | O6—Er3—Er5ii | 98.4 (6) |
O10—Er1—O7 | 78.8 (8) | O6—Er3—Er5 | 48.1 (5) |
O10—Er1—O5i | 95.3 (9) | O6—Er3—Er6vii | 104.7 (6) |
O10—Er1—O5 | 163.4 (7) | O6—Er3—Er6ii | 89.2 (6) |
O10—Er1—O8i | 88.6 (8) | O6—Er3—O10ii | 75.3 (8) |
O10—Er1—O6ii | 76.2 (8) | O6—Er3—O7 | 78.2 (8) |
O4—Er1—Er1i | 105.4 (6) | O6—Er3—O3 | 128.8 (8) |
O4—Er1—Er3ii | 87.4 (6) | O6—Er3—O3viii | 76.1 (8) |
O4—Er1—Er4i | 96.9 (6) | Er1i—Er4—Er2i | 59.59 (5) |
O4—Er1—Er6 | 146.5 (6) | Er1i—Er4—Er2ix | 174.90 (6) |
O4—Er1—O8i | 130.4 (8) | Er1i—Er4—Er5x | 118.19 (7) |
O4—Er1—O6ii | 75.1 (7) | Er2ix—Er4—Er2i | 125.39 (6) |
O7—Er1—Er1i | 97.0 (6) | Er2i—Er4—Er5x | 114.48 (6) |
O7—Er1—Er3ii | 94.5 (6) | Er2ix—Er4—Er5x | 59.72 (5) |
O7—Er1—Er4i | 152.9 (6) | O9—Er4—Er1i | 135.1 (6) |
O7—Er1—Er6 | 94.4 (5) | O9—Er4—Er2ix | 40.3 (6) |
O7—Er1—O4 | 75.9 (8) | O9—Er4—Er2i | 147.9 (6) |
O7—Er1—O8i | 153.6 (8) | O9—Er4—Er5x | 35.8 (6) |
O7—Er1—O6ii | 126.1 (8) | O9—Er4—O7 | 101.7 (8) |
O5i—Er1—Er1i | 40.1 (6) | O9—Er4—O5i | 175.1 (8) |
O5—Er1—Er1i | 39.1 (6) | O9—Er4—O1i | 108.1 (8) |
O5i—Er1—Er3ii | 134.7 (6) | O9—Er4—O2ix | 78.2 (8) |
O5—Er1—Er3ii | 141.4 (6) | O9—Er4—O11x | 75.0 (8) |
O5—Er1—Er4i | 38.9 (5) | O9—Er4—O8 | 95.7 (8) |
O5i—Er1—Er4i | 89.9 (6) | O9—Er4—B1ix | 89.3 (9) |
O5i—Er1—Er6 | 75.3 (6) | O7—Er4—Er1i | 99.4 (6) |
O5—Er1—Er6 | 135.3 (5) | O7—Er4—Er2i | 102.8 (5) |
O5i—Er1—O4 | 130.8 (8) | O7—Er4—Er2ix | 80.8 (6) |
O5—Er1—O4 | 76.4 (8) | O7—Er4—Er5x | 136.4 (5) |
O5—Er1—O7 | 114.6 (8) | O7—Er4—O5i | 78.9 (8) |
O5i—Er1—O7 | 76.4 (8) | O7—Er4—O1i | 122.1 (8) |
O5i—Er1—O5 | 79.3 (9) | O7—Er4—O2ix | 83.0 (8) |
O5i—Er1—O8i | 81.9 (8) | O7—Er4—O11x | 170.8 (7) |
O5—Er1—O8i | 75.2 (8) | O7—Er4—O8 | 96.9 (8) |
O5i—Er1—O6ii | 152.3 (7) | O7—Er4—B1ix | 107.0 (11) |
O5—Er1—O6ii | 101.3 (8) | O5i—Er4—Er1i | 40.4 (6) |
O8i—Er1—Er1i | 75.0 (6) | O5i—Er4—Er2ix | 144.1 (6) |
O8i—Er1—Er3ii | 90.2 (6) | O5i—Er4—Er2i | 35.1 (6) |
O8i—Er1—Er4i | 39.4 (6) | O5i—Er4—Er5x | 144.4 (6) |
O8i—Er1—Er6 | 65.4 (6) | O5i—Er4—O1i | 75.3 (8) |
O8i—Er1—O6ii | 71.7 (8) | O5i—Er4—O2ix | 106.7 (8) |
O6ii—Er1—Er1i | 134.2 (6) | O5i—Er4—O11x | 103.7 (8) |
O6ii—Er1—Er3ii | 40.2 (6) | O5i—Er4—O8 | 79.4 (8) |
O6ii—Er1—Er4i | 75.1 (6) | O5i—Er4—B1ix | 95.2 (9) |
O6ii—Er1—Er6 | 86.0 (5) | O1i—Er4—Er1i | 92.9 (5) |
Er5ii—Er2—Er4i | 98.69 (6) | O1i—Er4—Er2ix | 91.2 (5) |
Er5ii—Er2—Er6i | 164.60 (6) | O1i—Er4—Er2i | 40.4 (5) |
Er5ii—Er2—Er6iv | 60.39 (5) | O1i—Er4—Er5x | 79.3 (5) |
Er4iii—Er2—Er5ii | 61.44 (5) | O1i—Er4—O2ix | 57.4 (7) |
Er4iii—Er2—Er4i | 130.46 (6) | O1i—Er4—O11x | 66.9 (7) |
Er4iii—Er2—Er6iv | 61.87 (4) | O1i—Er4—B1ix | 29.0 (9) |
Er4iii—Er2—Er6i | 116.21 (6) | O2ix—Er4—Er1i | 143.9 (5) |
Er4i—Er2—Er6iv | 68.85 (5) | O2ix—Er4—Er2ix | 41.2 (5) |
Er4i—Er2—Er6i | 93.69 (5) | O2ix—Er4—Er2i | 84.6 (5) |
Er6i—Er2—Er6iv | 133.58 (6) | O2ix—Er4—Er5x | 79.1 (5) |
O4—Er2—Er5ii | 38.6 (6) | O2ix—Er4—O11x | 104.4 (8) |
O4—Er2—Er4i | 95.1 (5) | O2ix—Er4—B1ix | 29.1 (10) |
O4—Er2—Er4iii | 93.0 (6) | O11x—Er4—Er1i | 77.9 (5) |
O4—Er2—Er6iv | 93.9 (6) | O11x—Er4—Er2ix | 101.0 (5) |
O4—Er2—Er6i | 131.3 (6) | O11x—Er4—Er2i | 83.5 (5) |
O4—Er2—O9iii | 77.0 (9) | O11x—Er4—Er5x | 42.4 (5) |
O4—Er2—O13i | 95.9 (8) | O11x—Er4—B1ix | 81.7 (10) |
O4—Er2—O1 | 114.3 (8) | O8—Er4—Er1i | 42.4 (5) |
O4—Er2—O2 | 89.7 (8) | O8—Er4—Er2ix | 132.5 (5) |
O4—Er2—O12i | 164.7 (8) | O8—Er4—Er2i | 101.6 (5) |
O9iii—Er2—Er5ii | 38.4 (6) | O8—Er4—Er5x | 96.9 (6) |
O9iii—Er2—Er4iii | 36.6 (5) | O8—Er4—O1i | 126.9 (8) |
O9iii—Er2—Er4i | 98.9 (5) | O8—Er4—O2ix | 173.7 (7) |
O9iii—Er2—Er6iv | 33.2 (5) | O8—Er4—O11x | 75.1 (8) |
O9iii—Er2—Er6i | 147.8 (6) | O8—Er4—B1ix | 154.0 (10) |
O9iii—Er2—O13i | 148.6 (7) | B1ix—Er4—Er1i | 121.3 (7) |
O9iii—Er2—O1 | 69.9 (8) | B1ix—Er4—Er2ix | 63.2 (7) |
O9iii—Er2—O12i | 112.6 (8) | B1ix—Er4—Er2i | 63.8 (7) |
O13i—Er2—Er5ii | 127.9 (6) | B1ix—Er4—Er5x | 72.7 (8) |
O13i—Er2—Er4iii | 115.2 (5) | Er2i—Er6—Er2xi | 119.78 (5) |
O13i—Er2—Er4i | 112.4 (5) | Er2i—Er6—Er4xiii | 104.88 (6) |
O13i—Er2—Er6iv | 169.9 (6) | Er5xii—Er6—Er2i | 65.00 (5) |
O13i—Er2—Er6i | 37.4 (6) | Er5xii—Er6—Er2xi | 56.75 (5) |
O5—Er2—Er5ii | 105.0 (7) | Er5xii—Er6—Er4xiii | 57.99 (4) |
O5—Er2—Er4i | 35.9 (6) | Er4xiii—Er6—Er2xi | 55.67 (4) |
O5—Er2—Er4iii | 162.3 (6) | O10—Er6—Er2i | 88.2 (6) |
O5—Er2—Er6iv | 102.2 (6) | O10—Er6—Er2xi | 134.2 (6) |
O5—Er2—Er6i | 80.0 (6) | O10—Er6—Er5xii | 145.3 (6) |
O5—Er2—O4 | 79.9 (8) | O10—Er6—Er4xiii | 155.9 (6) |
O5—Er2—O9iii | 125.7 (8) | O10—Er6—O13 | 94.0 (8) |
O5—Er2—O13i | 81.8 (8) | O10—Er6—O1xi | 97.9 (8) |
O5—Er2—O1 | 76.4 (8) | O10—Er6—O12 | 104.7 (8) |
O5—Er2—O2 | 151.2 (8) | O10—Er6—O14 | 100.8 (8) |
O5—Er2—O12i | 102.2 (8) | O10—Er6—O3ii | 69.3 (8) |
O1—Er2—Er5ii | 92.2 (6) | O10—Er6—B1ii | 78.4 (9) |
O1—Er2—Er4iii | 92.2 (5) | O9xiii—Er6—Er2i | 97.2 (6) |
O1—Er2—Er4i | 40.6 (5) | O9xiii—Er6—Er2xi | 35.1 (6) |
O1—Er2—Er6i | 103.2 (6) | O9xiii—Er6—Er5xii | 34.7 (6) |
O1—Er2—Er6iv | 36.7 (6) | O9xiii—Er6—Er4xiii | 30.4 (6) |
O1—Er2—O13i | 138.3 (8) | O9xiii—Er6—O10 | 169.1 (9) |
O2—Er2—Er5ii | 81.6 (6) | O9xiii—Er6—O13 | 96.2 (8) |
O2—Er2—Er4iii | 43.4 (6) | O9xiii—Er6—O1xi | 71.7 (8) |
O2—Er2—Er4i | 172.6 (5) | O9xiii—Er6—O12 | 75.0 (8) |
O2—Er2—Er6i | 87.3 (6) | O9xiii—Er6—O14 | 85.4 (8) |
O2—Er2—Er6iv | 105.3 (6) | O9xiii—Er6—O3ii | 105.1 (7) |
O2—Er2—O9iii | 76.7 (7) | O9xiii—Er6—B1ii | 92.5 (9) |
O2—Er2—O13i | 72.6 (8) | O13—Er6—Er2xi | 130.9 (5) |
O2—Er2—O1 | 132.0 (8) | O13—Er6—Er2i | 38.1 (5) |
O2—Er2—O12i | 81.3 (8) | O13—Er6—Er5xii | 78.6 (5) |
O12i—Er2—Er5ii | 149.5 (6) | O13—Er6—Er4xiii | 84.9 (5) |
O12i—Er2—Er4iii | 89.0 (5) | O13—Er6—O1xi | 167.1 (7) |
O12i—Er2—Er4i | 95.1 (5) | O13—Er6—O3ii | 138.8 (7) |
O12i—Er2—Er6iv | 100.4 (5) | O13—Er6—B1ii | 165.7 (9) |
O12i—Er2—Er6i | 36.4 (6) | O1xi—Er6—Er2xi | 36.6 (5) |
O12i—Er2—O13i | 69.6 (8) | O1xi—Er6—Er2i | 136.9 (5) |
O12i—Er2—O1 | 80.8 (8) | O1xi—Er6—Er5xii | 88.7 (5) |
Er2ii—Er5—Er3ii | 66.48 (5) | O1xi—Er6—Er4xiii | 86.3 (5) |
Er2ii—Er5—Er4 | 168.95 (6) | O1xi—Er6—O3ii | 51.8 (7) |
Er2ii—Er5—Er4v | 58.84 (5) | O1xi—Er6—B1ii | 26.0 (8) |
Er2ii—Er5—Er6vi | 62.86 (5) | O12—Er6—Er2i | 36.9 (6) |
Er3ii—Er5—Er4 | 117.26 (6) | O12—Er6—Er2xi | 85.5 (6) |
Er3ii—Er5—Er6vi | 129.13 (7) | O12—Er6—Er5xii | 40.8 (5) |
Er4v—Er5—Er3ii | 95.50 (6) | O12—Er6—Er4xiii | 97.6 (5) |
Er4v—Er5—Er4 | 128.61 (6) | O12—Er6—O13 | 70.6 (8) |
Er4v—Er5—Er6vi | 61.93 (4) | O12—Er6—O1xi | 101.2 (8) |
Er6vi—Er5—Er4 | 111.75 (6) | O12—Er6—O3ii | 148.8 (7) |
O10—Er5—Er2ii | 100.1 (6) | O12—Er6—B1ii | 122.8 (9) |
O10—Er5—Er3ii | 38.8 (6) | O14—Er6—Er2i | 115.7 (6) |
O10—Er5—Er4v | 97.6 (6) | O14—Er6—Er2xi | 98.1 (6) |
O10—Er5—Er4 | 87.4 (6) | O14—Er6—Er5xii | 110.4 (5) |
O10—Er5—Er6vi | 157.8 (6) | O14—Er6—Er4xiii | 55.4 (5) |
O10—Er5—O4ii | 74.2 (8) | O14—Er6—O13 | 77.7 (8) |
O10—Er5—O12vi | 163.7 (8) | O14—Er6—O1xi | 104.9 (8) |
O10—Er5—O11 | 80.3 (8) | O14—Er6—O12 | 140.2 (8) |
O10—Er5—B3vi | 144.8 (9) | O14—Er6—O3ii | 69.5 (8) |
O4ii—Er5—Er2ii | 38.6 (6) | O14—Er6—B1ii | 91.8 (9) |
O4ii—Er5—Er3ii | 35.4 (5) | O3ii—Er6—Er2i | 157.5 (4) |
O4ii—Er5—Er4v | 90.7 (6) | O3ii—Er6—Er2xi | 79.2 (4) |
O4ii—Er5—Er4 | 138.9 (6) | O3ii—Er6—Er5xii | 135.8 (4) |
O4ii—Er5—Er6vi | 96.3 (6) | O3ii—Er6—Er4xiii | 95.9 (4) |
O4ii—Er5—O12vi | 106.0 (7) | O3ii—Er6—B1ii | 27.1 (8) |
O4ii—Er5—O11 | 124.3 (8) | B1ii—Er6—Er2i | 151.3 (7) |
O4ii—Er5—B3vi | 81.7 (9) | B1ii—Er6—Er2xi | 59.6 (7) |
O9v—Er5—Er2ii | 40.2 (6) | B1ii—Er6—Er5xii | 114.5 (7) |
O9v—Er5—Er3ii | 102.3 (6) | B1ii—Er6—Er4xiii | 97.2 (7) |
O9v—Er5—Er4v | 34.0 (5) | Er1—O10—Er5 | 101.4 (8) |
O9v—Er5—Er4 | 139.8 (6) | Er1—O10—Er3ii | 102.8 (9) |
O9v—Er5—Er6vi | 34.3 (5) | Er1—O10—Er6 | 122.1 (11) |
O9v—Er5—O10 | 123.5 (8) | Er5—O10—Er3ii | 103.9 (9) |
O9v—Er5—O4ii | 78.9 (9) | Er6—O10—Er5 | 112.0 (9) |
O9v—Er5—O12vi | 71.8 (7) | Er6—O10—Er3ii | 112.8 (9) |
O9v—Er5—O11 | 75.5 (8) | Er2—O4—Er1 | 99.4 (8) |
O9v—Er5—B3vi | 74.8 (9) | Er5ii—O4—Er1 | 119.4 (9) |
O7—Er5—Er2ii | 141.0 (6) | Er5ii—O4—Er2 | 102.8 (9) |
O7—Er5—Er3ii | 94.5 (6) | Er3—O4—Er1 | 105.4 (9) |
O7—Er5—Er4 | 32.1 (6) | Er3—O4—Er2 | 122.9 (10) |
O7—Er5—Er4v | 160.1 (6) | Er3—O4—Er5ii | 107.9 (9) |
O7—Er5—Er6vi | 122.4 (5) | Er5x—O9—Er2ix | 101.3 (9) |
O7—Er5—O10 | 79.8 (8) | Er4—O9—Er2ix | 103.1 (9) |
O7—Er5—O4ii | 107.3 (9) | Er4—O9—Er5x | 110.1 (9) |
O7—Er5—O9v | 156.4 (7) | Er4—O9—Er6vii | 118.1 (11) |
O7—Er5—O12vi | 84.7 (8) | Er6vii—O9—Er2ix | 111.6 (9) |
O7—Er5—O11 | 115.8 (8) | Er6vii—O9—Er5x | 111.0 (9) |
O7—Er5—B3vi | 83.5 (9) | Er6—O13—Er2i | 104.5 (8) |
O12vi—Er5—Er2ii | 88.8 (6) | B2i—O13—Er2i | 113 (2) |
O12vi—Er5—Er3ii | 139.0 (5) | B2i—O13—Er6 | 127 (2) |
O12vi—Er5—Er4v | 98.7 (5) | Er1—O7—Er3 | 101.3 (8) |
O12vi—Er5—Er4 | 82.1 (6) | Er5—O7—Er1 | 99.8 (8) |
O12vi—Er5—Er6vi | 38.0 (5) | Er5—O7—Er3 | 114.4 (10) |
O12vi—Er5—B3vi | 25.9 (9) | Er4—O7—Er1 | 99.6 (9) |
O11—Er5—Er2ii | 102.4 (6) | Er4—O7—Er5 | 115.3 (9) |
O11—Er5—Er3ii | 105.8 (5) | Er4—O7—Er3 | 121.0 (10) |
O11—Er5—Er4 | 86.8 (6) | Er1i—O5—Er1 | 100.7 (9) |
O11—Er5—Er4v | 44.8 (6) | Er2—O5—Er1 | 103.5 (9) |
O11—Er5—Er6vi | 89.3 (5) | Er2—O5—Er1i | 136.7 (11) |
O11—Er5—O12vi | 111.4 (7) | Er2—O5—Er4i | 109.0 (10) |
O11—Er5—B3vi | 134.8 (9) | Er4i—O5—Er1 | 100.7 (9) |
B3vi—Er5—Er2ii | 74.5 (8) | Er4i—O5—Er1i | 100.9 (8) |
B3vi—Er5—Er3ii | 113.2 (7) | Er2—O1—Er4i | 98.9 (8) |
B3vi—Er5—Er4 | 94.7 (8) | Er2—O1—Er6iv | 106.6 (9) |
B3vi—Er5—Er4v | 108.0 (7) | Er6iv—O1—Er4i | 123.8 (9) |
B3vi—Er5—Er6vi | 48.4 (7) | B1xiv—O1—Er2 | 134 (2) |
Er1ii—Er3—Er5 | 64.59 (5) | B1xiv—O1—Er4i | 91.9 (19) |
Er1ii—Er3—Er5ii | 57.81 (5) | B1xiv—O1—Er6iv | 103 (2) |
Er1ii—Er3—Er6ii | 63.97 (5) | Er2—O2—Er4iii | 95.4 (7) |
Er1ii—Er3—Er6vii | 144.90 (6) | B1—O2—Er2 | 130 (2) |
Er5ii—Er3—Er5 | 94.38 (5) | B1—O2—Er4iii | 89 (2) |
Er5ii—Er3—Er6ii | 60.25 (4) | Er2i—O12—Er5xii | 112.6 (9) |
Er5ii—Er3—Er6vii | 156.87 (7) | Er6—O12—Er2i | 106.7 (9) |
Er6vii—Er3—Er5 | 101.30 (6) | Er6—O12—Er5xii | 101.3 (8) |
Er6ii—Er3—Er5 | 128.46 (6) | B3—O12—Er2i | 134 (2) |
Er6vii—Er3—Er6ii | 118.98 (5) | B3—O12—Er5xii | 99.1 (19) |
O10ii—Er3—Er1ii | 37.6 (6) | B3—O12—Er6 | 98 (2) |
O10ii—Er3—Er5ii | 37.3 (5) | Er5—O11—Er4v | 92.8 (8) |
O10ii—Er3—Er5 | 99.7 (5) | B3—O11—Er5 | 147 (2) |
O10ii—Er3—Er6ii | 32.9 (5) | B3—O11—Er4v | 120 (2) |
O10ii—Er3—Er6vii | 151.0 (5) | Er6—O14—Er3xiii | 113.1 (10) |
O10ii—Er3—O7 | 123.5 (8) | B2xiii—O14—Er3xiii | 124 (2) |
O10ii—Er3—O3viii | 105.6 (8) | B2xiii—O14—Er6 | 121 (2) |
O10ii—Er3—O3 | 77.3 (8) | Er4—O8—Er1i | 98.2 (8) |
O4—Er3—Er1ii | 86.9 (6) | B2—O8—Er1i | 126 (2) |
O4—Er3—Er5 | 88.3 (6) | B2—O8—Er4 | 114 (2) |
O4—Er3—Er5ii | 36.7 (6) | Er3—O3—Er3viii | 109.2 (9) |
O4—Er3—Er6vii | 126.3 (6) | Er3viii—O3—Er6ii | 92.9 (7) |
O4—Er3—Er6ii | 92.0 (6) | Er3—O3—Er6ii | 93.7 (8) |
O4—Er3—O10ii | 74.0 (8) | B1—O3—Er3viii | 126.3 (19) |
O4—Er3—O7 | 77.4 (8) | B1—O3—Er3 | 124.5 (19) |
O4—Er3—O14vii | 93.4 (8) | B1—O3—Er6ii | 82 (2) |
O4—Er3—O3viii | 162.8 (8) | Er3—O6—Er1ii | 98.5 (8) |
O4—Er3—O3 | 92.6 (8) | B3vi—O6—Er1ii | 130 (2) |
O4—Er3—O6 | 119.5 (8) | B3vi—O6—Er3 | 132 (2) |
O7—Er3—Er1ii | 94.0 (6) | O12—B3—Er5xii | 55.0 (15) |
O7—Er3—Er5 | 31.8 (6) | O12—B3—O11 | 119 (3) |
O7—Er3—Er5ii | 101.5 (5) | O12—B3—O6xii | 119 (3) |
O7—Er3—Er6ii | 156.3 (6) | O11—B3—Er5xii | 145 (2) |
O7—Er3—Er6vii | 83.9 (6) | O11—B3—O6xii | 121 (3) |
O7—Er3—O3viii | 115.0 (7) | O6xii—B3—Er5xii | 73.2 (16) |
O7—Er3—O3 | 151.7 (8) | Er4iii—B1—Er6ii | 93.3 (12) |
O14vii—Er3—Er1ii | 172.6 (5) | O1xv—B1—Er4iii | 59.0 (16) |
O14vii—Er3—Er5 | 108.0 (5) | O1xv—B1—Er6ii | 50.6 (17) |
O14vii—Er3—Er5ii | 125.2 (5) | O1xv—B1—O2 | 118 (3) |
O14vii—Er3—Er6vii | 33.2 (5) | O1xv—B1—O3 | 117 (3) |
O14vii—Er3—Er6ii | 123.4 (5) | O2—B1—Er4iii | 61.8 (17) |
O14vii—Er3—O10ii | 149.3 (8) | O2—B1—Er6ii | 148 (2) |
O14vii—Er3—O7 | 78.8 (8) | O2—B1—O3 | 123 (3) |
O14vii—Er3—O3 | 75.4 (8) | O3—B1—Er4iii | 155 (3) |
O14vii—Er3—O3viii | 78.3 (8) | O3—B1—Er6ii | 71 (2) |
O14vii—Er3—O6 | 133.9 (8) | O13i—B2—O8 | 119 (3) |
O3—Er3—Er1ii | 112.0 (6) | O14vii—B2—O13i | 122 (3) |
O3viii—Er3—Er1ii | 103.3 (6) | O14vii—B2—O8 | 119 (3) |
Symmetry codes: (i) −x, −y, −z+2; (ii) −x+1, −y, −z+2; (iii) −x+1/2, y+1/2, −z+5/2; (iv) −x+1/2, y+1/2, −z+3/2; (v) x+1/2, −y−1/2, z−1/2; (vi) x+1/2, −y−1/2, z+1/2; (vii) x, y, z+1; (viii) −x+1, −y, −z+3; (ix) −x+1/2, y−1/2, −z+5/2; (x) x−1/2, −y−1/2, z+1/2; (xi) −x+1/2, y−1/2, −z+3/2; (xii) x−1/2, −y−1/2, z−1/2; (xiii) x, y, z−1; (xiv) x−1/2, −y+1/2, z−1/2; (xv) x+1/2, −y+1/2, z+1/2. |
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