Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768108026153/sn5072sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072Isup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072IIsup3.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072IIIsup4.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072IVsup5.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072Vsup6.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072VIsup7.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072VIIsup8.hkl |
For all compounds, data collection: XDS (Kabsch, 2007); cell refinement: Jana2006; data reduction: XDS, Jana2006; program(s) used to solve structure: coordinates from model; program(s) used to refine structure: Jana2006 (Petricek, Dusek & Palatinus, 2006); molecular graphics: Atoms (Dowty, 1999); software used to prepare material for publication: Jana2006 (Petricek, Dusek & Palatinus, 2006).
O8V4Yb | F(000) = 904 |
Mr = 504.8 | LeBail fit of synchrotrn powder data. |
Monoclinic, P21/n | Dx = 6.040 Mg m−3 |
Hall symbol: -P 2yabc | Synchrotron radiation, λ = 0.47686 Å |
a = 9.0677 (3) Å | Cell parameters from 378 reflections |
b = 10.6261 (4) Å | θ = 1–10° |
c = 5.7599 (2) Å | µ = 7.89 mm−1 |
β = 90.185 (2)° | T = 250 K |
V = 554.99 (3) Å3 | Irregular, black |
Z = 4 | 0.11 × 0.10 × 0.09 mm |
Huber 4-circle diffractometer | 6594 independent reflections |
Radiation source: Hasylab; D3 | 5676 reflections with I > 3σ(I) |
Detector resolution: Mar-CCD165 pixels mm-1 | Rint = 0.056 |
$πhi$–scans | θmax = 32.6°, θmin = 2° |
Absorption correction: numerical Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus) | h = −20→20 |
Tmin = 0.659, Tmax = 0.779 | k = −23→18 |
51399 measured reflections | l = −12→13 |
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
R[F2 > 2σ(F2)] = 0.032 | (Δ/σ)max = 0.004 |
wR(F2) = 0.034 | Δρmax = 3.53 e Å−3 |
S = 1.87 | Δρmin = −8.52; 2.47Å from V3 e Å−3 |
6594 reflections | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
119 parameters | Extinction coefficient: 3404 (230) |
x | y | z | Uiso*/Ueq | ||
Yb | 0.758088 (9) | 0.657623 (7) | 0.126532 (14) | 0.004173 (17 | |
V1 | 0.42644 (4) | 0.61874 (3) | 0.12336 (6) | 0.00406 (5) | |
V2 | 0.40828 (4) | 0.09711 (3) | 0.12454 (6) | 0.00401 (5) | |
V3 | 0.45589 (4) | 0.61093 (3) | 0.62677 (6) | 0.00429 (5) | |
V4 | 0.41860 (4) | 0.10574 (3) | 0.62589 (6) | 0.00429 (5) | |
O1 | 0.20288 (18) | 0.15901 (13) | 0.1132 (3) | 0.0059 (3) | |
O2 | 0.12031 (17) | 0.47316 (13) | 0.1172 (3) | 0.0052 (3) | |
O3 | 0.53975 (17) | 0.77672 (13) | 0.1210 (3) | 0.0053 (3) | |
O4 | 0.41365 (17) | 0.43082 (13) | 0.1160 (3) | 0.0052 (3) | |
O5 | 0.20795 (19) | 0.15820 (13) | 0.6385 (3) | 0.0065 (3) | |
O6 | 0.11378 (17) | 0.47513 (13) | 0.6338 (3) | 0.0053 (3) | |
O7 | 0.51292 (18) | 0.78872 (13) | 0.6279 (3) | 0.0058 (3) | |
O8 | 0.41537 (17) | 0.42725 (13) | 0.6328 (3) | 0.0054 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb | 0.00300 (3) | 0.00477 (3) | 0.00475 (3) | 0.000171 (18) | 0.000072 (19) | −0.000154 (17) |
V1 | 0.00344 (10) | 0.00462 (9) | 0.00414 (10) | −0.00024 (7) | 0.00000 (8) | −0.00017 (7) |
V2 | 0.00375 (10) | 0.00461 (8) | 0.00367 (9) | 0.00034 (7) | −0.00003 (8) | 0.00017 (7) |
V3 | 0.00423 (10) | 0.00463 (9) | 0.00401 (10) | 0.00007 (7) | −0.00003 (8) | 0.00023 (7) |
V4 | 0.00443 (10) | 0.00435 (8) | 0.00411 (10) | −0.00014 (7) | 0.00068 (8) | −0.00021 (7) |
O1 | 0.0043 (5) | 0.0079 (4) | 0.0055 (5) | 0.0003 (3) | 0.0006 (4) | 0.0003 (3) |
O2 | 0.0043 (5) | 0.0061 (4) | 0.0052 (5) | 0.0005 (3) | 0.0002 (4) | −0.0004 (3) |
O3 | 0.0057 (5) | 0.0051 (4) | 0.0049 (4) | −0.0008 (3) | 0.0000 (4) | 0.0001 (3) |
O4 | 0.0044 (5) | 0.0064 (4) | 0.0048 (5) | 0.0000 (3) | −0.0002 (4) | −0.0002 (3) |
O5 | 0.0056 (5) | 0.0085 (5) | 0.0053 (5) | −0.0005 (4) | −0.0003 (4) | −0.0008 (3) |
O6 | 0.0046 (5) | 0.0056 (4) | 0.0057 (5) | 0.0004 (3) | −0.0001 (4) | 0.0010 (3) |
O7 | 0.0063 (5) | 0.0059 (4) | 0.0053 (5) | −0.0006 (4) | 0.0000 (4) | 0.0002 (3) |
O8 | 0.0050 (5) | 0.0064 (4) | 0.0048 (4) | −0.0001 (3) | 0.0003 (4) | 0.0003 (3) |
Yb—V1 | 3.0356 (3) | Yb—O1i | 2.4150 (14) |
Yb—V1i | 3.6715 (3) | Yb—O2i | 2.2644 (14) |
Yb—V1ii | 4.0504 (3) | Yb—O3 | 2.3499 (15) |
Yb—V1iii | 4.0173 (3) | Yb—O4i | 2.2904 (15) |
Yb—V2iv | 3.4049 (3) | Yb—O5viii | 2.3988 (15) |
Yb—V2i | 3.3385 (3) | Yb—O6viii | 2.2882 (15) |
Yb—V2v | 4.1914 (3) | Yb—O7ii | 2.3801 (16) |
Yb—V2vi | 4.1695 (3) | Yb—O8viii | 2.2853 (15) |
Yb—V3vii | 3.9988 (3) | V1—O1ix | 1.9676 (16) |
Yb—V3 | 4.0135 (3) | V1—O3 | 1.9683 (15) |
Yb—V3viii | 3.7343 (3) | V1—O4 | 2.0007 (14) |
Yb—V3ii | 3.0440 (3) | V1—O4i | 2.0722 (15) |
Yb—V4iv | 3.3227 (3) | V1—O5ix | 1.9807 (17) |
Yb—V4viii | 3.3072 (3) | V1—O8viii | 2.0629 (15) |
Yb—V4v | 3.1544 (3) | V2—O1 | 1.9761 (16) |
V1—V1i | 3.1905 (4) | V2—O2xi | 2.0044 (15) |
V1—V2ix | 3.3766 (5) | V2—O3i | 2.0058 (15) |
V1—V2i | 3.6627 (4) | V2—O6xi | 1.9828 (15) |
V1—V3vii | 2.8748 (5) | V2—O6v | 2.0159 (16) |
V1—V3 | 2.9122 (5) | V2—O7viii | 2.0022 (15) |
V1—V3viii | 3.0258 (4) | V3—O1ix | 2.0572 (16) |
V1—V4ix | 3.4409 (5) | V3—O4viii | 1.9441 (15) |
V1—V4viii | 3.5523 (4) | V3—O5xiii | 2.0738 (17) |
V2—V2x | 3.0166 (4) | V3—O7 | 1.9588 (14) |
V2—V3xi | 3.6042 (5) | V3—O8 | 1.9863 (14) |
V2—V3viii | 3.6308 (4) | V3—O8viii | 1.9428 (15) |
V2—V4vii | 2.8755 (5) | V4—O2xi | 2.0165 (15) |
V2—V4 | 2.8904 (5) | V4—O2vi | 2.0129 (15) |
V2—V4xii | 3.0270 (4) | V4—O3viii | 1.9558 (15) |
V3—V3viii | 2.8875 (4) | V4—O5 | 1.9913 (17) |
V3—V4xiii | 3.6872 (5) | V4—O6xiv | 1.9828 (15) |
V3—V4viii | 3.5339 (4) | V4—O7viii | 1.9458 (15) |
V4—V4xii | 3.0572 (4) | ||
V1—Yb—V1i | 55.843 (8) | V2x—V2—V3viii | 125.828 (13) |
V1—Yb—V1ii | 116.822 (8) | V2x—V2—V4vii | 61.771 (11) |
V1—Yb—V1iii | 117.321 (8) | V2x—V2—V4 | 118.734 (14) |
V1—Yb—V2iv | 148.837 (8) | V2x—V2—V4xii | 56.821 (10) |
V1—Yb—V2i | 69.964 (8) | V3xi—V2—V3viii | 115.648 (11) |
V1—Yb—V2v | 103.418 (8) | V3xi—V2—V4vii | 68.301 (11) |
V1—Yb—V2vi | 103.719 (8) | V3xi—V2—V4 | 115.253 (13) |
V1—Yb—V3vii | 45.750 (8) | V3xi—V2—V4xii | 133.852 (13) |
V1—Yb—V3 | 46.276 (8) | V3viii—V2—V4vii | 110.777 (12) |
V1—Yb—V3viii | 51.852 (8) | V3viii—V2—V4 | 64.462 (10) |
V1—Yb—V3ii | 133.925 (9) | V3viii—V2—V4xii | 104.263 (12) |
V1—Yb—V4iv | 148.243 (9) | V4vii—V2—V4 | 174.790 (15) |
V1—Yb—V4viii | 67.963 (8) | V4vii—V2—V4xii | 118.592 (14) |
V1—Yb—V4v | 109.654 (9) | V4—V2—V4xii | 62.165 (11) |
V1i—Yb—V1ii | 111.168 (7) | Yb—V3—Ybxx | 91.925 (7) |
V1i—Yb—V1iii | 157.527 (7) | Yb—V3—Ybviii | 136.423 (9) |
V1i—Yb—V2iv | 114.659 (7) | Yb—V3—Ybxvi | 107.665 (9) |
V1i—Yb—V2i | 104.469 (8) | Yb—V3—V1 | 48.875 (8) |
V1i—Yb—V2v | 50.333 (7) | Yb—V3—V1xx | 140.947 (13) |
V1i—Yb—V2vi | 84.138 (7) | Yb—V3—V1viii | 101.576 (11) |
V1i—Yb—V3vii | 46.224 (7) | Yb—V3—V2ix | 110.089 (10) |
V1i—Yb—V3 | 82.600 (7) | Yb—V3—V2viii | 86.908 (9) |
V1i—Yb—V3viii | 45.674 (7) | Yb—V3—V3viii | 63.060 (9) |
V1i—Yb—V3ii | 156.095 (8) | Yb—V3—V4xiii | 155.647 (11) |
V1i—Yb—V4iv | 95.589 (8) | Yb—V3—V4viii | 51.500 (7) |
V1i—Yb—V4viii | 123.806 (8) | Ybxx—V3—Ybviii | 100.172 (8) |
V1i—Yb—V4v | 59.974 (8) | Ybxx—V3—Ybxvi | 107.606 (9) |
V1ii—Yb—V1iii | 91.113 (7) | Ybxx—V3—V1 | 140.682 (13) |
V1ii—Yb—V2iv | 94.341 (7) | Ybxx—V3—V1xx | 49.144 (8) |
V1ii—Yb—V2i | 53.334 (7) | Ybxx—V3—V1viii | 61.178 (8) |
V1ii—Yb—V2v | 76.187 (6) | Ybxx—V3—V2ix | 156.778 (11) |
V1ii—Yb—V2vi | 138.602 (7) | Ybxx—V3—V2viii | 51.623 (7) |
V1ii—Yb—V3vii | 79.438 (7) | Ybxx—V3—V3viii | 105.967 (11) |
V1ii—Yb—V3 | 147.779 (7) | Ybxx—V3—V4xiii | 110.703 (10) |
V1ii—Yb—V3viii | 156.651 (7) | Ybxx—V3—V4viii | 88.273 (9) |
V1ii—Yb—V3ii | 45.801 (8) | Ybviii—V3—Ybxvi | 108.102 (10) |
V1ii—Yb—V4iv | 56.574 (7) | Ybviii—V3—V1 | 110.766 (11) |
V1ii—Yb—V4viii | 92.675 (7) | Ybviii—V3—V1xx | 66.010 (9) |
V1ii—Yb—V4v | 110.164 (8) | Ybviii—V3—V1viii | 52.088 (8) |
V1iii—Yb—V2iv | 58.445 (7) | Ybviii—V3—V2ix | 69.219 (8) |
V1iii—Yb—V2i | 90.969 (7) | Ybviii—V3—V2viii | 132.755 (11) |
V1iii—Yb—V2v | 138.579 (7) | Ybviii—V3—V3viii | 73.363 (9) |
V1iii—Yb—V2vi | 76.788 (6) | Ybviii—V3—V4xiii | 50.301 (6) |
V1iii—Yb—V3vii | 147.579 (7) | Ybviii—V3—V4viii | 167.465 (12) |
V1iii—Yb—V3 | 79.659 (7) | Ybxvi—V3—V1 | 85.663 (10) |
V1iii—Yb—V3viii | 112.191 (7) | Ybxvi—V3—V1xx | 85.439 (11) |
V1iii—Yb—V3ii | 45.507 (8) | Ybxvi—V3—V1viii | 149.176 (14) |
V1iii—Yb—V4iv | 94.362 (8) | Ybxvi—V3—V2ix | 59.578 (8) |
V1iii—Yb—V4viii | 55.012 (8) | Ybxvi—V3—V2viii | 60.589 (8) |
V1iii—Yb—V4v | 110.572 (8) | Ybxvi—V3—V3viii | 145.448 (14) |
V2iv—Yb—V2i | 136.842 (8) | Ybxvi—V3—V4xiii | 57.916 (7) |
V2iv—Yb—V2v | 83.010 (7) | Ybxvi—V3—V4viii | 60.133 (8) |
V2iv—Yb—V2vi | 45.566 (7) | V1—V3—V1xx | 168.906 (16) |
V2iv—Yb—V3vii | 152.320 (7) | V1—V3—V1viii | 121.846 (13) |
V2iv—Yb—V3 | 106.386 (8) | V1—V3—V2ix | 61.335 (10) |
V2iv—Yb—V3viii | 99.062 (8) | V1—V3—V2viii | 113.476 (12) |
V2iv—Yb—V3ii | 68.263 (8) | V1—V3—V3viii | 62.894 (11) |
V2iv—Yb—V4iv | 50.870 (8) | V1—V3—V4xiii | 107.670 (13) |
V2iv—Yb—V4viii | 113.141 (8) | V1—V3—V4viii | 66.065 (10) |
V2iv—Yb—V4v | 54.804 (8) | V1xx—V3—V1viii | 65.405 (11) |
V2i—Yb—V2v | 110.653 (7) | V1xx—V3—V2ix | 108.230 (13) |
V2i—Yb—V2vi | 161.981 (7) | V1xx—V3—V2viii | 67.373 (10) |
V2i—Yb—V3vii | 58.493 (7) | V1xx—V3—V3viii | 123.613 (14) |
V2i—Yb—V3 | 95.675 (7) | V1xx—V3—V4xiii | 61.794 (11) |
V2i—Yb—V3viii | 121.787 (8) | V1xx—V3—V4viii | 114.595 (12) |
V2i—Yb—V3ii | 68.586 (8) | V1viii—V3—V2ix | 118.646 (12) |
V2i—Yb—V4iv | 109.760 (8) | V1viii—V3—V2viii | 112.511 (12) |
V2i—Yb—V4viii | 51.273 (8) | V1viii—V3—V3viii | 58.952 (11) |
V2i—Yb—V4v | 154.149 (8) | V1viii—V3—V4xiii | 97.352 (12) |
V2v—Yb—V2vi | 87.088 (6) | V1viii—V3—V4viii | 140.306 (14) |
V2v—Yb—V3vii | 69.310 (7) | V2ix—V3—V2viii | 120.161 (11) |
V2v—Yb—V3 | 129.757 (6) | V2ix—V3—V3viii | 91.064 (12) |
V2v—Yb—V3viii | 86.524 (7) | V2ix—V3—V4xiii | 46.436 (8) |
V2v—Yb—V3ii | 109.229 (8) | V2ix—V3—V4viii | 99.507 (11) |
V2v—Yb—V4iv | 45.723 (7) | V2viii—V3—V3viii | 143.416 (14) |
V2v—Yb—V4viii | 161.335 (8) | V2viii—V3—V4xiii | 99.904 (10) |
V2v—Yb—V4v | 43.554 (7) | V2viii—V3—V4viii | 47.561 (8) |
V2vi—Yb—V3vii | 129.511 (6) | V3viii—V3—V4xiii | 116.118 (13) |
V2vi—Yb—V3 | 69.395 (7) | V3viii—V3—V4viii | 113.401 (13) |
V2vi—Yb—V3viii | 53.920 (7) | V4xiii—V3—V4viii | 118.039 (11) |
V2vi—Yb—V3ii | 109.455 (8) | Ybxvii—V4—Ybviii | 119.464 (9) |
V2vi—Yb—V4iv | 84.642 (7) | Ybxvii—V4—Ybxix | 123.744 (10) |
V2vi—Yb—V4viii | 110.766 (7) | Ybxvii—V4—V1xi | 127.817 (11) |
V2vi—Yb—V4v | 43.545 (7) | Ybxvii—V4—V1viii | 72.106 (8) |
V3vii—Yb—V3 | 91.925 (7) | Ybxvii—V4—V2 | 66.038 (10) |
V3vii—Yb—V3viii | 79.828 (7) | Ybxvii—V4—V2xx | 118.291 (13) |
V3vii—Yb—V3ii | 120.199 (8) | Ybxvii—V4—V2xii | 82.472 (10) |
V3vii—Yb—V4iv | 105.544 (8) | Ybxvii—V4—V3xiv | 168.991 (11) |
V3vii—Yb—V4viii | 94.184 (8) | Ybxvii—V4—V3viii | 52.603 (7) |
V3vii—Yb—V4v | 101.781 (8) | Ybxvii—V4—V4xii | 59.090 (9) |
V3—Yb—V3viii | 43.577 (7) | Ybviii—V4—Ybxix | 116.735 (11) |
V3—Yb—V3ii | 120.214 (8) | Ybviii—V4—V1xi | 73.041 (9) |
V3—Yb—V4iv | 154.033 (8) | Ybviii—V4—V1viii | 52.382 (7) |
V3—Yb—V4viii | 56.744 (7) | Ybviii—V4—V2 | 116.152 (12) |
V3—Yb—V4v | 101.962 (8) | Ybviii—V4—V2xx | 64.924 (9) |
V3viii—Yb—V3ii | 157.538 (8) | Ybviii—V4—V2xii | 126.005 (12) |
V3viii—Yb—V4iv | 119.999 (7) | Ybviii—V4—V3xiv | 51.245 (7) |
V3viii—Yb—V4viii | 99.433 (8) | Ybviii—V4—V3viii | 71.756 (8) |
V3viii—Yb—V4v | 64.075 (8) | Ybviii—V4—V4xii | 177.135 (13) |
V3ii—Yb—V4iv | 67.264 (8) | Ybxix—V4—V1xi | 67.492 (8) |
V3ii—Yb—V4viii | 70.839 (9) | Ybxix—V4—V1viii | 155.870 (12) |
V3ii—Yb—V4v | 116.420 (9) | Ybxix—V4—V2 | 87.684 (10) |
V4iv—Yb—V4viii | 138.087 (8) | Ybxix—V4—V2xx | 87.365 (10) |
V4iv—Yb—V4v | 56.256 (8) | Ybxix—V4—V2xii | 66.812 (9) |
V4viii—Yb—V4v | 154.053 (9) | Ybxix—V4—V3xiv | 65.624 (8) |
Yb—V1—Ybi | 124.157 (10) | Ybxix—V4—V3viii | 154.897 (12) |
Yb—V1—Ybxv | 107.334 (9) | Ybxix—V4—V4xii | 64.654 (8) |
Yb—V1—Ybxvi | 106.947 (9) | V1xi—V4—V1viii | 119.638 (11) |
Yb—V1—V1i | 72.222 (9) | V1xi—V4—V2 | 63.767 (11) |
Yb—V1—V2ix | 153.965 (13) | V1xi—V4—V2xx | 112.678 (14) |
Yb—V1—V2i | 58.904 (8) | V1xi—V4—V2xii | 134.121 (13) |
Yb—V1—V3vii | 85.107 (11) | V1xi—V4—V3xiv | 47.415 (9) |
Yb—V1—V3 | 84.849 (11) | V1xi—V4—V3viii | 95.025 (11) |
Yb—V1—V3viii | 76.060 (10) | V1xi—V4—V4xii | 105.748 (12) |
Yb—V1—V4ix | 155.152 (13) | V1viii—V4—V2 | 116.350 (12) |
Yb—V1—V4viii | 59.655 (8) | V1viii—V4—V2xx | 68.547 (10) |
Ybi—V1—Ybxv | 91.274 (7) | V1viii—V4—V2xii | 100.950 (12) |
Ybi—V1—Ybxvi | 125.272 (9) | V1viii—V4—V3xiv | 101.197 (11) |
Ybi—V1—V1i | 51.935 (8) | V1viii—V4—V3viii | 48.531 (8) |
Ybi—V1—V2ix | 72.843 (8) | V1viii—V4—V4xii | 127.424 (14) |
Ybi—V1—V2i | 133.873 (11) | V2—V4—V2xx | 174.791 (15) |
Ybi—V1—V3vii | 68.317 (9) | V2—V4—V2xii | 117.835 (13) |
Ybi—V1—V3 | 114.064 (11) | V2—V4—V3xiv | 111.077 (13) |
Ybi—V1—V3viii | 72.598 (9) | V2—V4—V3viii | 67.978 (10) |
Ybi—V1—V4ix | 52.534 (7) | V2—V4—V4xii | 61.111 (11) |
Ybi—V1—V4viii | 176.186 (12) | V2xx—V4—V2xii | 61.408 (11) |
Ybxv—V1—Ybxvi | 91.113 (6) | V2xx—V4—V3xiv | 65.263 (11) |
Ybxv—V1—V1i | 108.002 (10) | V2xx—V4—V3viii | 116.748 (12) |
Ybxv—V1—V2ix | 90.376 (9) | V2xx—V4—V4xii | 117.884 (13) |
Ybxv—V1—V2i | 52.388 (7) | V2xii—V4—V3xiv | 107.698 (12) |
Ybxv—V1—V3vii | 49.054 (8) | V2xii—V4—V3viii | 129.423 (14) |
Ybxv—V1—V3 | 139.424 (11) | V2xii—V4—V4xii | 56.724 (10) |
Ybxv—V1—V3viii | 161.536 (12) | V3xiv—V4—V3viii | 116.399 (11) |
Ybxv—V1—V4ix | 51.948 (7) | V3xiv—V4—V4xii | 129.866 (12) |
Ybxv—V1—V4viii | 87.191 (8) | V3viii—V4—V4xii | 105.918 (12) |
Ybxvi—V1—V1i | 160.365 (11) | O1i—Yb—O2i | 93.90 (5) |
Ybxvi—V1—V2ix | 52.472 (7) | O1i—Yb—O3 | 71.50 (5) |
Ybxvi—V1—V2i | 87.187 (8) | O1i—Yb—O4i | 94.75 (5) |
Ybxvi—V1—V3vii | 139.934 (12) | O1i—Yb—O5viii | 69.25 (5) |
Ybxvi—V1—V3 | 48.536 (8) | O1i—Yb—O6viii | 140.12 (5) |
Ybxvi—V1—V3viii | 105.426 (11) | O1i—Yb—O7ii | 70.40 (5) |
Ybxvi—V1—V4ix | 88.728 (9) | O1i—Yb—O8viii | 140.15 (5) |
Ybxvi—V1—V4viii | 51.320 (7) | O2i—Yb—O3 | 137.22 (5) |
V1i—V1—V2ix | 121.027 (12) | O2i—Yb—O4i | 72.63 (5) |
V1i—V1—V2i | 107.827 (12) | O2i—Yb—O5viii | 142.05 (5) |
V1i—V1—V3vii | 59.580 (10) | O2i—Yb—O6viii | 75.43 (5) |
V1i—V1—V3 | 112.570 (13) | O2i—Yb—O7ii | 71.00 (5) |
V1i—V1—V3viii | 55.015 (10) | O2i—Yb—O8viii | 118.12 (5) |
V1i—V1—V4ix | 99.402 (11) | O3—Yb—O4i | 68.99 (5) |
V1i—V1—V4viii | 131.877 (13) | O3—Yb—O5viii | 71.03 (5) |
V2ix—V1—V2i | 126.387 (11) | O3—Yb—O6viii | 140.03 (5) |
V2ix—V1—V3vii | 120.825 (14) | O3—Yb—O7ii | 133.55 (5) |
V2ix—V1—V3 | 69.486 (11) | O3—Yb—O8viii | 68.86 (5) |
V2ix—V1—V3viii | 93.247 (12) | O4i—Yb—O5viii | 139.88 (5) |
V2ix—V1—V4ix | 50.159 (9) | O4i—Yb—O6viii | 117.26 (5) |
V2ix—V1—V4viii | 103.661 (11) | O4i—Yb—O7ii | 139.33 (5) |
V2i—V1—V3vii | 66.202 (10) | O4i—Yb—O8viii | 74.94 (5) |
V2i—V1—V3 | 112.045 (12) | O5viii—Yb—O6viii | 95.65 (5) |
V2i—V1—V3viii | 134.926 (14) | O5viii—Yb—O7ii | 71.32 (5) |
V2i—V1—V4ix | 104.068 (11) | O5viii—Yb—O8viii | 93.85 (5) |
V2i—V1—V4viii | 46.943 (8) | O6viii—Yb—O7ii | 69.79 (5) |
V3vii—V1—V3 | 168.906 (16) | O6viii—Yb—O8viii | 74.92 (5) |
V3vii—V1—V3viii | 114.595 (13) | O7ii—Yb—O8viii | 139.70 (5) |
V3vii—V1—V4ix | 70.791 (11) | O1ix—V1—O3 | 97.61 (6) |
V3vii—V1—V4viii | 112.982 (12) | O1ix—V1—O4 | 101.46 (6) |
V3—V1—V3viii | 58.154 (10) | O1ix—V1—O4i | 171.26 (6) |
V3—V1—V4ix | 119.645 (14) | O1ix—V1—O5ix | 100.04 (7) |
V3—V1—V4viii | 65.404 (10) | O1ix—V1—O8viii | 86.64 (6) |
V3viii—V1—V4ix | 119.003 (12) | O3—V1—O4 | 151.80 (6) |
V3viii—V1—V4viii | 109.446 (12) | O3—V1—O4i | 81.12 (6) |
V4ix—V1—V4viii | 124.102 (11) | O3—V1—O5ix | 97.70 (6) |
Ybxvii—V2—Ybi | 115.761 (9) | O3—V1—O8viii | 81.08 (6) |
Ybxvii—V2—Ybxviii | 134.434 (9) | O4—V1—O4i | 76.88 (6) |
Ybxvii—V2—Ybxix | 96.990 (7) | O4—V1—O5ix | 99.19 (6) |
Ybxvii—V2—V1xi | 127.208 (11) | O4—V1—O8viii | 79.52 (6) |
Ybxvii—V2—V1i | 69.168 (8) | O4i—V1—O5ix | 88.70 (6) |
Ybxvii—V2—V2x | 80.731 (10) | O4i—V1—O8viii | 84.62 (6) |
Ybxvii—V2—V3xi | 166.674 (11) | O5ix—V1—O8viii | 173.31 (7) |
Ybxvii—V2—V3viii | 51.148 (7) | O1—V2—O2xi | 96.84 (6) |
Ybxvii—V2—V4vii | 112.511 (12) | O1—V2—O3i | 88.73 (6) |
Ybxvii—V2—V4 | 63.093 (9) | O1—V2—O6xi | 95.74 (6) |
Ybxvii—V2—V4xii | 58.384 (9) | O1—V2—O6v | 177.04 (6) |
Ybi—V2—Ybxviii | 93.592 (8) | O1—V2—O7viii | 98.97 (6) |
Ybi—V2—Ybxix | 130.966 (10) | O2xi—V2—O3i | 173.56 (6) |
Ybi—V2—V1xi | 74.194 (9) | O2xi—V2—O6xi | 96.57 (6) |
Ybi—V2—V1i | 51.133 (7) | O2xi—V2—O6v | 81.49 (6) |
Ybi—V2—V2x | 125.252 (12) | O2xi—V2—O7viii | 85.20 (6) |
Ybi—V2—V3xi | 51.837 (7) | O3i—V2—O6xi | 86.06 (6) |
Ybi—V2—V3viii | 69.884 (8) | O3i—V2—O6v | 93.09 (6) |
Ybi—V2—V4vii | 63.803 (9) | O3i—V2—O7viii | 90.74 (6) |
Ybi—V2—V4 | 114.906 (11) | O6xi—V2—O6v | 82.06 (6) |
Ybi—V2—V4xii | 174.022 (13) | O6xi—V2—O7viii | 164.87 (7) |
Ybxviii—V2—Ybxix | 87.088 (6) | O6v—V2—O7viii | 83.35 (6) |
Ybxviii—V2—V1xi | 92.750 (9) | O1ix—V3—O4viii | 172.54 (7) |
Ybxviii—V2—V1i | 113.586 (9) | O1ix—V3—O5xiii | 82.92 (6) |
Ybxviii—V2—V2x | 53.704 (8) | O1ix—V3—O7 | 86.96 (6) |
Ybxviii—V2—V3xi | 56.861 (7) | O1ix—V3—O8 | 97.28 (6) |
Ybxviii—V2—V3viii | 159.355 (10) | O1ix—V3—O8viii | 87.46 (6) |
Ybxviii—V2—V4vii | 49.090 (8) | O4viii—V3—O5xiii | 89.65 (6) |
Ybxviii—V2—V4 | 135.839 (11) | O4viii—V3—O7 | 93.30 (6) |
Ybxviii—V2—V4xii | 91.843 (9) | O4viii—V3—O8 | 82.80 (6) |
Ybxix—V2—V1xi | 56.823 (7) | O4viii—V3—O8viii | 99.97 (6) |
Ybxix—V2—V1i | 159.324 (10) | O5xiii—V3—O7 | 87.36 (6) |
Ybxix—V2—V2x | 93.850 (9) | O5xiii—V3—O8 | 95.37 (6) |
Ybxix—V2—V3xi | 90.232 (9) | O5xiii—V3—O8viii | 170.37 (7) |
Ybxix—V2—V3viii | 112.969 (9) | O7—V3—O8 | 175.21 (7) |
Ybxix—V2—V4vii | 136.167 (11) | O7—V3—O8viii | 92.56 (6) |
Ybxix—V2—V4 | 48.762 (8) | O8—V3—O8viii | 85.41 (6) |
Ybxix—V2—V4xii | 51.805 (8) | O2xi—V4—O2vi | 81.30 (6) |
V1xi—V2—V1i | 118.753 (11) | O2xi—V4—O3viii | 175.36 (6) |
V1xi—V2—V2x | 138.492 (13) | O2xi—V4—O5 | 93.16 (6) |
V1xi—V2—V3xi | 49.179 (9) | O2xi—V4—O6xiv | 88.27 (6) |
V1xi—V2—V3viii | 94.384 (11) | O2xi—V4—O7viii | 86.36 (6) |
V1xi—V2—V4vii | 117.359 (14) | O2vi—V4—O3viii | 96.39 (6) |
V1xi—V2—V4 | 66.074 (11) | O2vi—V4—O5 | 171.62 (6) |
V1xi—V2—V4xii | 108.044 (12) | O2vi—V4—O6xiv | 82.09 (6) |
V1i—V2—V2x | 98.722 (12) | O2vi—V4—O7viii | 85.94 (6) |
V1i—V2—V3xi | 100.683 (10) | O3viii—V4—O5 | 88.68 (6) |
V1i—V2—V3viii | 46.424 (8) | O3viii—V4—O6xiv | 87.43 (6) |
V1i—V2—V4vii | 64.509 (10) | O3viii—V4—O7viii | 97.51 (6) |
V1i—V2—V4 | 110.570 (12) | O5—V4—O6xiv | 91.51 (6) |
V1i—V2—V4xii | 124.051 (13) | O5—V4—O7viii | 100.05 (7) |
V2x—V2—V3xi | 110.044 (12) | O6xiv—V4—O7viii | 167.50 (6) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) x+1/2, −y+3/2, z−1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) −x+3/2, y+1/2, −z+1/2; (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+1, −z+1; (ix) −x+1/2, y+1/2, −z+1/2; (x) −x+1, −y, −z; (xi) −x+1/2, y−1/2, −z+1/2; (xii) −x+1, −y, −z+1; (xiii) −x+1/2, y+1/2, −z+3/2; (xiv) −x+1/2, y−1/2, −z+3/2; (xv) x−1/2, −y+3/2, z−1/2; (xvi) x−1/2, −y+3/2, z+1/2; (xvii) −x+3/2, y−1/2, −z+1/2; (xviii) x−1/2, −y+1/2, z−1/2; (xix) x−1/2, −y+1/2, z+1/2; (xx) x, y, z+1. |
O8V4Yb | F(000) = 904 |
Mr = 504.8 | LeBail fit of synchrotrn powder data. |
Monoclinic, P21/n | Dx = 6.049 Mg m−3 |
Hall symbol: -P 2yabc | Synchrotron radiation, λ = 0.47686 Å |
a = 9.0651 (3) Å | Cell parameters from 378 reflections |
b = 10.6239 (4) Å | θ = 1–10° |
c = 5.7539 (3) Å | µ = 7.90 mm−1 |
β = 90.182 (3)° | T = 200 K |
V = 554.14 (4) Å3 | Irregular, black |
Z = 4 | 0.11 × 0.10 × 0.09 mm |
Huber 4-circle diffractometer | 6568 independent reflections |
Radiation source: Hasylab; D3 | 5851 reflections with I > 3σ(I) |
Detector resolution: Mar-CCD165 pixels mm-1 | Rint = 0.053 |
$πhi$–scans | θmax = 32.6°, θmin = 2° |
Absorption correction: numerical Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus) | h = −20→20 |
Tmin = 0.658, Tmax = 0.779 | k = −23→18 |
68351 measured reflections | l = −12→12 |
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
R[F2 > 2σ(F2)] = 0.033 | (Δ/σ)max = 0.002 |
wR(F2) = 0.039 | Δρmax = 4.07 e Å−3 |
S = 2.11 | Δρmin = −9.14; 2.47Å from V3 e Å−3 |
6568 reflections | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
119 parameters | Extinction coefficient: 3077 (272) |
x | y | z | Uiso*/Ueq | ||
Yb | 0.758079 (9) | 0.657628 (7) | 0.126403 (14) | 0.003676 (18 | |
V1 | 0.42654 (4) | 0.61868 (3) | 0.12334 (6) | 0.00366 (5) | |
V2 | 0.40829 (4) | 0.09717 (3) | 0.12448 (6) | 0.00363 (5) | |
V3 | 0.45579 (4) | 0.61092 (3) | 0.62666 (6) | 0.00389 (5) | |
V4 | 0.41853 (4) | 0.10573 (3) | 0.62584 (6) | 0.00388 (5) | |
O1 | 0.20313 (18) | 0.15890 (13) | 0.1135 (3) | 0.0055 (3) | |
O2 | 0.12024 (17) | 0.47316 (14) | 0.1170 (3) | 0.0048 (3) | |
O3 | 0.53987 (17) | 0.77673 (14) | 0.1210 (3) | 0.0049 (3) | |
O4 | 0.41363 (17) | 0.43094 (14) | 0.1163 (3) | 0.0051 (3) | |
O5 | 0.20814 (19) | 0.15822 (14) | 0.6385 (3) | 0.0059 (3) | |
O6 | 0.11400 (17) | 0.47501 (14) | 0.6336 (3) | 0.0049 (3) | |
O7 | 0.51279 (17) | 0.78882 (14) | 0.6275 (3) | 0.0054 (3) | |
O8 | 0.41526 (17) | 0.42721 (14) | 0.6328 (3) | 0.0050 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb | 0.00288 (3) | 0.00384 (3) | 0.00430 (3) | 0.000128 (17) | 0.000004 (19) | −0.000119 (17) |
V1 | 0.00326 (9) | 0.00369 (9) | 0.00402 (10) | −0.00025 (7) | −0.00002 (7) | −0.00016 (7) |
V2 | 0.00372 (10) | 0.00371 (9) | 0.00345 (9) | 0.00029 (7) | −0.00005 (7) | 0.00014 (7) |
V3 | 0.00410 (10) | 0.00380 (9) | 0.00377 (9) | 0.00008 (7) | −0.00015 (7) | 0.00025 (7) |
V4 | 0.00426 (10) | 0.00360 (9) | 0.00378 (9) | −0.00017 (7) | 0.00046 (8) | −0.00021 (7) |
O1 | 0.0044 (4) | 0.0068 (5) | 0.0052 (5) | 0.0006 (3) | 0.0005 (4) | 0.0003 (3) |
O2 | 0.0049 (4) | 0.0052 (4) | 0.0045 (4) | 0.0003 (3) | −0.0002 (3) | −0.0006 (3) |
O3 | 0.0052 (5) | 0.0048 (4) | 0.0047 (4) | −0.0006 (3) | −0.0002 (4) | 0.0005 (3) |
O4 | 0.0049 (5) | 0.0055 (4) | 0.0047 (4) | 0.0000 (3) | −0.0001 (4) | 0.0003 (3) |
O5 | 0.0057 (5) | 0.0068 (5) | 0.0053 (5) | −0.0004 (4) | −0.0007 (4) | −0.0004 (3) |
O6 | 0.0047 (4) | 0.0048 (4) | 0.0053 (4) | 0.0005 (3) | −0.0001 (4) | 0.0011 (3) |
O7 | 0.0056 (5) | 0.0051 (4) | 0.0055 (5) | −0.0008 (4) | 0.0000 (4) | 0.0002 (3) |
O8 | 0.0046 (4) | 0.0053 (4) | 0.0052 (4) | −0.0002 (3) | 0.0003 (4) | 0.0003 (3) |
Yb—V1 | 3.0338 (3) | Yb—O1i | 2.4149 (15) |
Yb—V1i | 3.6698 (3) | Yb—O2i | 2.2623 (15) |
Yb—V1ii | 4.0480 (3) | Yb—O3 | 2.3483 (15) |
Yb—V1iii | 4.0159 (3) | Yb—O4i | 2.2902 (15) |
Yb—V2iv | 3.4039 (3) | Yb—O5viii | 2.3976 (15) |
Yb—V2i | 3.3363 (3) | Yb—O6viii | 2.2863 (15) |
Yb—V2v | 4.1889 (3) | Yb—O7ii | 2.3780 (16) |
Yb—V2vi | 4.1678 (3) | Yb—O8viii | 2.2838 (15) |
Yb—V3vii | 3.9967 (3) | V1—O1ix | 1.9667 (17) |
Yb—V3 | 4.0113 (3) | V1—O3 | 1.9685 (15) |
Yb—V3viii | 3.7329 (3) | V1—O4 | 1.9984 (15) |
Yb—V3ii | 3.0428 (3) | V1—O4i | 2.0715 (16) |
Yb—V4iv | 3.3214 (3) | V1—O5ix | 1.9813 (17) |
Yb—V4viii | 3.3061 (3) | V1—O8viii | 2.0619 (16) |
Yb—V4v | 3.1534 (3) | V2—O1 | 1.9729 (16) |
V1—V1i | 3.1874 (5) | V2—O2xi | 2.0045 (15) |
V1—V2ix | 3.3762 (5) | V2—O3i | 2.0036 (15) |
V1—V2i | 3.6608 (5) | V2—O6xi | 1.9820 (15) |
V1—V3vii | 2.8722 (5) | V2—O6v | 2.0168 (16) |
V1—V3 | 2.9085 (5) | V2—O7viii | 2.0023 (16) |
V1—V3viii | 3.0244 (5) | V3—O1ix | 2.0574 (17) |
V1—V4ix | 3.4396 (5) | V3—O4viii | 1.9429 (15) |
V1—V4viii | 3.5517 (5) | V3—O5xiii | 2.0734 (17) |
V2—V2x | 3.0157 (5) | V3—O7 | 1.9594 (15) |
V2—V3xi | 3.6017 (5) | V3—O8 | 1.9862 (15) |
V2—V3viii | 3.6298 (5) | V3—O8viii | 1.9415 (16) |
V2—V4vii | 2.8724 (5) | V4—O2xi | 2.0139 (15) |
V2—V4 | 2.8874 (5) | V4—O2vi | 2.0123 (16) |
V2—V4xii | 3.0267 (5) | V4—O3viii | 1.9545 (15) |
V3—V3viii | 2.8859 (5) | V4—O5 | 1.9886 (17) |
V3—V4xiii | 3.6846 (5) | V4—O6xiv | 1.9835 (15) |
V3—V4viii | 3.5329 (5) | V4—O7viii | 1.9424 (16) |
V4—V4xii | 3.0561 (5) | ||
V1—Yb—V1i | 55.812 (8) | V2x—V2—V3viii | 125.828 (13) |
V1—Yb—V1ii | 116.865 (8) | V2x—V2—V4vii | 61.809 (11) |
V1—Yb—V1iii | 117.342 (8) | V2x—V2—V4 | 118.694 (14) |
V1—Yb—V2iv | 148.824 (9) | V2x—V2—V4xii | 56.766 (11) |
V1—Yb—V2i | 69.972 (8) | V3xi—V2—V3viii | 115.665 (11) |
V1—Yb—V2v | 103.418 (8) | V3xi—V2—V4vii | 68.311 (11) |
V1—Yb—V2vi | 103.704 (8) | V3xi—V2—V4 | 115.219 (13) |
V1—Yb—V3vii | 45.728 (8) | V3xi—V2—V4xii | 133.835 (13) |
V1—Yb—V3 | 46.235 (8) | V3viii—V2—V4vii | 110.793 (13) |
V1—Yb—V3viii | 51.849 (8) | V3viii—V2—V4 | 64.479 (10) |
V1—Yb—V3ii | 133.925 (9) | V3viii—V2—V4xii | 104.261 (12) |
V1—Yb—V4iv | 148.274 (9) | V4vii—V2—V4 | 174.827 (16) |
V1—Yb—V4viii | 67.985 (9) | V4vii—V2—V4xii | 118.576 (14) |
V1—Yb—V4v | 109.628 (9) | V4—V2—V4xii | 62.176 (11) |
V1i—Yb—V1ii | 111.236 (7) | Yb—V3—Ybxx | 91.864 (7) |
V1i—Yb—V1iii | 157.526 (7) | Yb—V3—Ybviii | 136.427 (9) |
V1i—Yb—V2iv | 114.672 (8) | Yb—V3—Ybxvi | 107.662 (9) |
V1i—Yb—V2i | 104.489 (8) | Yb—V3—V1 | 48.877 (8) |
V1i—Yb—V2v | 50.355 (7) | Yb—V3—V1xx | 140.885 (13) |
V1i—Yb—V2vi | 84.106 (7) | Yb—V3—V1viii | 101.559 (11) |
V1i—Yb—V3vii | 46.225 (7) | Yb—V3—V2ix | 110.141 (10) |
V1i—Yb—V3 | 82.547 (7) | Yb—V3—V2viii | 86.880 (9) |
V1i—Yb—V3viii | 45.649 (7) | Yb—V3—V3viii | 63.074 (9) |
V1i—Yb—V3ii | 156.133 (9) | Yb—V3—V4xiii | 155.680 (11) |
V1i—Yb—V4iv | 95.633 (8) | Yb—V3—V4viii | 51.506 (7) |
V1i—Yb—V4viii | 123.797 (8) | Ybxx—V3—Ybviii | 100.183 (8) |
V1i—Yb—V4v | 59.976 (8) | Ybxx—V3—Ybxvi | 107.608 (9) |
V1ii—Yb—V1iii | 91.046 (7) | Ybxx—V3—V1 | 140.624 (13) |
V1ii—Yb—V2iv | 94.312 (7) | Ybxx—V3—V1xx | 49.142 (9) |
V1ii—Yb—V2i | 53.362 (7) | Ybxx—V3—V1viii | 61.183 (9) |
V1ii—Yb—V2v | 76.242 (7) | Ybxx—V3—V2ix | 156.781 (11) |
V1ii—Yb—V2vi | 138.576 (7) | Ybxx—V3—V2viii | 51.610 (7) |
V1ii—Yb—V3vii | 79.501 (7) | Ybxx—V3—V3viii | 105.896 (12) |
V1ii—Yb—V3 | 147.765 (7) | Ybxx—V3—V4xiii | 110.728 (10) |
V1ii—Yb—V3viii | 156.697 (7) | Ybxx—V3—V4viii | 88.212 (9) |
V1ii—Yb—V3ii | 45.763 (8) | Ybviii—V3—Ybxvi | 108.130 (10) |
V1ii—Yb—V4iv | 56.597 (7) | Ybviii—V3—V1 | 110.785 (12) |
V1ii—Yb—V4viii | 92.648 (8) | Ybviii—V3—V1xx | 66.016 (9) |
V1ii—Yb—V4v | 110.188 (8) | Ybviii—V3—V1viii | 52.076 (8) |
V1iii—Yb—V2iv | 58.432 (7) | Ybviii—V3—V2ix | 69.228 (8) |
V1iii—Yb—V2i | 90.938 (7) | Ybviii—V3—V2viii | 132.758 (11) |
V1iii—Yb—V2v | 138.553 (7) | Ybviii—V3—V3viii | 73.353 (10) |
V1iii—Yb—V2vi | 76.825 (7) | Ybviii—V3—V4xiii | 50.312 (7) |
V1iii—Yb—V3vii | 147.569 (7) | Ybviii—V3—V4viii | 167.505 (12) |
V1iii—Yb—V3 | 79.711 (7) | Ybxvi—V3—V1 | 85.685 (11) |
V1iii—Yb—V3viii | 112.212 (7) | Ybxvi—V3—V1xx | 85.470 (11) |
V1iii—Yb—V3ii | 45.476 (8) | Ybxvi—V3—V1viii | 149.186 (14) |
V1iii—Yb—V4iv | 94.312 (8) | Ybxvi—V3—V2ix | 59.574 (8) |
V1iii—Yb—V4viii | 55.010 (8) | Ybxvi—V3—V2viii | 60.589 (8) |
V1iii—Yb—V4v | 110.575 (8) | Ybxvi—V3—V3viii | 145.510 (14) |
V2iv—Yb—V2i | 136.833 (8) | Ybxvi—V3—V4xiii | 57.933 (8) |
V2iv—Yb—V2v | 82.995 (7) | Ybxvi—V3—V4viii | 60.128 (8) |
V2iv—Yb—V2vi | 45.570 (7) | V1—V3—V1xx | 168.972 (16) |
V2iv—Yb—V3vii | 152.347 (8) | V1—V3—V1viii | 121.828 (14) |
V2iv—Yb—V3 | 106.413 (8) | V1—V3—V2ix | 61.388 (10) |
V2iv—Yb—V3viii | 99.053 (8) | V1—V3—V2viii | 113.473 (13) |
V2iv—Yb—V3ii | 68.268 (8) | V1—V3—V3viii | 62.926 (11) |
V2iv—Yb—V4iv | 50.832 (8) | V1—V3—V4xiii | 107.705 (13) |
V2iv—Yb—V4viii | 113.125 (8) | V1—V3—V4viii | 66.100 (11) |
V2iv—Yb—V4v | 54.817 (8) | V1xx—V3—V1viii | 65.383 (11) |
V2i—Yb—V2v | 110.717 (7) | V1xx—V3—V2ix | 108.240 (13) |
V2i—Yb—V2vi | 161.975 (8) | V1xx—V3—V2viii | 67.370 (11) |
V2i—Yb—V3vii | 58.513 (7) | V1xx—V3—V3viii | 123.551 (15) |
V2i—Yb—V3 | 95.635 (8) | V1xx—V3—V4xiii | 61.822 (11) |
V2i—Yb—V3viii | 121.792 (8) | V1xx—V3—V4viii | 114.558 (13) |
V2i—Yb—V3ii | 68.572 (9) | V1viii—V3—V2ix | 118.651 (13) |
V2i—Yb—V4iv | 109.813 (8) | V1viii—V3—V2viii | 112.501 (13) |
V2i—Yb—V4viii | 51.242 (8) | V1viii—V3—V3viii | 58.902 (11) |
V2i—Yb—V4v | 154.187 (9) | V1viii—V3—V4xiii | 97.351 (12) |
V2v—Yb—V2vi | 87.029 (6) | V1viii—V3—V4viii | 140.273 (14) |
V2v—Yb—V3vii | 69.352 (7) | V2ix—V3—V2viii | 120.158 (12) |
V2v—Yb—V3 | 129.723 (7) | V2ix—V3—V3viii | 91.138 (12) |
V2v—Yb—V3viii | 86.497 (7) | V2ix—V3—V4xiii | 46.417 (8) |
V2v—Yb—V3ii | 109.256 (8) | V2ix—V3—V4viii | 99.547 (11) |
V2v—Yb—V4iv | 45.747 (7) | V2viii—V3—V3viii | 143.370 (14) |
V2v—Yb—V4viii | 161.369 (8) | V2viii—V3—V4xiii | 99.914 (11) |
V2v—Yb—V4v | 43.530 (8) | V2viii—V3—V4viii | 47.522 (8) |
V2vi—Yb—V3vii | 129.482 (7) | V3viii—V3—V4xiii | 116.142 (13) |
V2vi—Yb—V3 | 69.431 (7) | V3viii—V3—V4viii | 113.435 (13) |
V2vi—Yb—V3viii | 53.901 (7) | V4xiii—V3—V4viii | 118.052 (12) |
V2vi—Yb—V3ii | 109.474 (8) | Ybxvii—V4—Ybviii | 119.438 (10) |
V2vi—Yb—V4iv | 84.593 (7) | Ybxvii—V4—Ybxix | 123.744 (10) |
V2vi—Yb—V4viii | 110.793 (8) | Ybxvii—V4—V1xi | 127.879 (12) |
V2vi—Yb—V4v | 43.510 (8) | Ybxvii—V4—V1viii | 72.078 (9) |
V3vii—Yb—V3 | 91.864 (7) | Ybxvii—V4—V2 | 66.063 (9) |
V3vii—Yb—V3viii | 79.817 (7) | Ybxvii—V4—V2xx | 118.236 (13) |
V3vii—Yb—V3ii | 120.211 (8) | Ybxvii—V4—V2xii | 82.439 (10) |
V3vii—Yb—V4iv | 105.610 (8) | Ybxvii—V4—V3xiv | 169.000 (12) |
V3vii—Yb—V4viii | 94.175 (8) | Ybxvii—V4—V3viii | 52.600 (8) |
V3vii—Yb—V4v | 101.787 (8) | Ybxvii—V4—V4xii | 59.093 (9) |
V3—Yb—V3viii | 43.573 (7) | Ybviii—V4—Ybxix | 116.761 (10) |
V3—Yb—V3ii | 120.222 (8) | Ybviii—V4—V1xi | 73.042 (9) |
V3—Yb—V4iv | 154.019 (8) | Ybviii—V4—V1viii | 52.363 (7) |
V3—Yb—V4viii | 56.758 (7) | Ybviii—V4—V2 | 116.148 (12) |
V3—Yb—V4v | 101.953 (8) | Ybviii—V4—V2xx | 64.922 (9) |
V3viii—Yb—V3ii | 157.529 (8) | Ybviii—V4—V2xii | 126.020 (12) |
V3viii—Yb—V4iv | 119.978 (8) | Ybviii—V4—V3xiv | 51.256 (7) |
V3viii—Yb—V4viii | 99.454 (8) | Ybviii—V4—V3viii | 71.736 (8) |
V3viii—Yb—V4v | 64.049 (8) | Ybviii—V4—V4xii | 177.157 (13) |
V3ii—Yb—V4iv | 67.272 (9) | Ybxix—V4—V1xi | 67.484 (9) |
V3ii—Yb—V4viii | 70.811 (9) | Ybxix—V4—V1viii | 155.894 (12) |
V3ii—Yb—V4v | 116.445 (9) | Ybxix—V4—V2 | 87.691 (11) |
V4iv—Yb—V4viii | 138.068 (8) | Ybxix—V4—V2xx | 87.393 (11) |
V4iv—Yb—V4v | 56.256 (8) | Ybxix—V4—V2xii | 66.806 (9) |
V4viii—Yb—V4v | 154.045 (9) | Ybxix—V4—V3xiv | 65.639 (8) |
Yb—V1—Ybi | 124.188 (10) | Ybxix—V4—V3viii | 154.931 (12) |
Yb—V1—Ybxv | 107.331 (9) | Ybxix—V4—V4xii | 64.652 (9) |
Yb—V1—Ybxvi | 106.963 (9) | V1xi—V4—V1viii | 119.625 (12) |
Yb—V1—V1i | 72.251 (10) | V1xi—V4—V2 | 63.800 (11) |
Yb—V1—V2ix | 153.988 (13) | V1xi—V4—V2xx | 112.669 (13) |
Yb—V1—V2i | 58.896 (8) | V1xi—V4—V2xii | 134.107 (13) |
Yb—V1—V3vii | 85.130 (11) | V1xi—V4—V3xiv | 47.397 (9) |
Yb—V1—V3 | 84.888 (11) | V1xi—V4—V3viii | 95.079 (11) |
Yb—V1—V3viii | 76.075 (10) | V1xi—V4—V4xii | 105.794 (12) |
Yb—V1—V4ix | 155.159 (13) | V1viii—V4—V2 | 116.318 (13) |
Yb—V1—V4viii | 59.652 (8) | V1viii—V4—V2xx | 68.544 (11) |
Ybi—V1—Ybxv | 91.297 (7) | V1viii—V4—V2xii | 100.974 (12) |
Ybi—V1—Ybxvi | 125.239 (9) | V1viii—V4—V3xiv | 101.192 (11) |
Ybi—V1—V1i | 51.937 (8) | V1viii—V4—V3viii | 48.476 (9) |
Ybi—V1—V2ix | 72.821 (9) | V1viii—V4—V4xii | 127.404 (13) |
Ybi—V1—V2i | 133.921 (11) | V2—V4—V2xx | 174.827 (16) |
Ybi—V1—V3vii | 68.336 (9) | V2—V4—V2xii | 117.824 (14) |
Ybi—V1—V3 | 114.030 (12) | V2—V4—V3xiv | 111.095 (13) |
Ybi—V1—V3viii | 72.592 (9) | V2—V4—V3viii | 67.999 (11) |
Ybi—V1—V4ix | 52.539 (7) | V2—V4—V4xii | 61.149 (11) |
Ybi—V1—V4viii | 176.159 (12) | V2xx—V4—V2xii | 61.424 (11) |
Ybxv—V1—Ybxvi | 91.046 (7) | V2xx—V4—V3xiv | 65.272 (11) |
Ybxv—V1—V1i | 108.035 (11) | V2xx—V4—V3viii | 116.695 (13) |
Ybxv—V1—V2ix | 90.327 (9) | V2xx—V4—V4xii | 117.855 (14) |
Ybxv—V1—V2i | 52.394 (7) | V2xii—V4—V3xiv | 107.705 (12) |
Ybxv—V1—V3vii | 49.054 (8) | V2xii—V4—V3viii | 129.389 (14) |
Ybxv—V1—V3 | 139.376 (12) | V2xii—V4—V4xii | 56.675 (10) |
Ybxv—V1—V3viii | 161.558 (12) | V3xiv—V4—V3viii | 116.410 (12) |
Ybxv—V1—V4ix | 51.948 (7) | V3xiv—V4—V4xii | 129.885 (13) |
Ybxv—V1—V4viii | 87.162 (9) | V3viii—V4—V4xii | 105.934 (12) |
Ybxvi—V1—V1i | 160.390 (12) | O1i—Yb—O2i | 94.00 (5) |
Ybxvi—V1—V2ix | 52.461 (7) | O1i—Yb—O3 | 71.44 (5) |
Ybxvi—V1—V2i | 87.141 (8) | O1i—Yb—O4i | 94.76 (5) |
Ybxvi—V1—V3vii | 139.872 (12) | O1i—Yb—O5viii | 69.23 (5) |
Ybxvi—V1—V3 | 48.552 (8) | O1i—Yb—O6viii | 140.20 (5) |
Ybxvi—V1—V3viii | 105.465 (11) | O1i—Yb—O7ii | 70.44 (5) |
Ybxvi—V1—V4ix | 88.676 (9) | O1i—Yb—O8viii | 140.10 (5) |
Ybxvi—V1—V4viii | 51.324 (7) | O2i—Yb—O3 | 137.31 (5) |
V1i—V1—V2ix | 121.019 (13) | O2i—Yb—O4i | 72.66 (5) |
V1i—V1—V2i | 107.876 (12) | O2i—Yb—O5viii | 142.07 (6) |
V1i—V1—V3vii | 59.612 (11) | O2i—Yb—O6viii | 75.40 (5) |
V1i—V1—V3 | 112.585 (13) | O2i—Yb—O7ii | 70.93 (5) |
V1i—V1—V3viii | 55.005 (10) | O2i—Yb—O8viii | 118.10 (5) |
V1i—V1—V4ix | 99.408 (12) | O3—Yb—O4i | 69.05 (5) |
V1i—V1—V4viii | 131.903 (13) | O3—Yb—O5viii | 70.97 (5) |
V2ix—V1—V2i | 126.342 (12) | O3—Yb—O6viii | 139.97 (5) |
V2ix—V1—V3vii | 120.775 (14) | O3—Yb—O7ii | 133.55 (5) |
V2ix—V1—V3 | 69.475 (11) | O3—Yb—O8viii | 68.87 (5) |
V2ix—V1—V3viii | 93.278 (12) | O4i—Yb—O5viii | 139.87 (5) |
V2ix—V1—V4ix | 50.118 (9) | O4i—Yb—O6viii | 117.23 (5) |
V2ix—V1—V4viii | 103.654 (11) | O4i—Yb—O7ii | 139.28 (5) |
V2i—V1—V3vii | 66.231 (10) | O4i—Yb—O8viii | 74.95 (5) |
V2i—V1—V3 | 112.033 (13) | O5viii—Yb—O6viii | 95.66 (5) |
V2i—V1—V3viii | 134.931 (14) | O5viii—Yb—O7ii | 71.40 (5) |
V2i—V1—V4ix | 104.074 (11) | O5viii—Yb—O8viii | 93.82 (5) |
V2i—V1—V4viii | 46.907 (8) | O6viii—Yb—O7ii | 69.83 (5) |
V3vii—V1—V3 | 168.972 (16) | O6viii—Yb—O8viii | 74.86 (5) |
V3vii—V1—V3viii | 114.617 (14) | O7ii—Yb—O8viii | 139.71 (5) |
V3vii—V1—V4ix | 70.780 (11) | O1ix—V1—O3 | 97.65 (6) |
V3vii—V1—V4viii | 112.977 (13) | O1ix—V1—O4 | 101.38 (6) |
V3—V1—V3viii | 58.172 (11) | O1ix—V1—O4i | 171.40 (7) |
V3—V1—V4ix | 119.593 (14) | O1ix—V1—O5ix | 99.85 (7) |
V3—V1—V4viii | 65.424 (10) | O1ix—V1—O8viii | 86.76 (6) |
V3viii—V1—V4ix | 119.005 (13) | O3—V1—O4 | 151.85 (7) |
V3viii—V1—V4viii | 109.461 (13) | O3—V1—O4i | 81.16 (6) |
V4ix—V1—V4viii | 124.075 (12) | O3—V1—O5ix | 97.72 (6) |
Ybxvii—V2—Ybi | 115.765 (9) | O3—V1—O8viii | 81.06 (6) |
Ybxvii—V2—Ybxviii | 134.430 (9) | O4—V1—O4i | 76.91 (6) |
Ybxvii—V2—Ybxix | 97.005 (8) | O4—V1—O5ix | 99.22 (6) |
Ybxvii—V2—V1xi | 127.232 (11) | O4—V1—O8viii | 79.53 (6) |
Ybxvii—V2—V1i | 69.174 (8) | O4i—V1—O5ix | 88.76 (7) |
Ybxvii—V2—V2x | 80.719 (10) | O4i—V1—O8viii | 84.63 (6) |
Ybxvii—V2—V3xi | 166.689 (12) | O5ix—V1—O8viii | 173.39 (7) |
Ybxvii—V2—V3viii | 51.143 (7) | O1—V2—O2xi | 96.80 (6) |
Ybxvii—V2—V4vii | 112.530 (12) | O1—V2—O3i | 88.76 (6) |
Ybxvii—V2—V4 | 63.105 (9) | O1—V2—O6xi | 95.74 (6) |
Ybxvii—V2—V4xii | 58.378 (9) | O1—V2—O6v | 177.05 (6) |
Ybi—V2—Ybxviii | 93.632 (8) | O1—V2—O7viii | 98.99 (6) |
Ybi—V2—Ybxix | 130.950 (9) | O2xi—V2—O3i | 173.56 (7) |
Ybi—V2—V1xi | 74.176 (9) | O2xi—V2—O6xi | 96.46 (6) |
Ybi—V2—V1i | 51.132 (7) | O2xi—V2—O6v | 81.51 (6) |
Ybi—V2—V2x | 125.324 (12) | O2xi—V2—O7viii | 85.14 (6) |
Ybi—V2—V3xi | 51.854 (7) | O3i—V2—O6xi | 86.17 (6) |
Ybi—V2—V3viii | 69.878 (8) | O3i—V2—O6v | 93.07 (6) |
Ybi—V2—V4vii | 63.836 (9) | O3i—V2—O7viii | 90.80 (6) |
Ybi—V2—V4 | 114.882 (12) | O6xi—V2—O6v | 82.10 (6) |
Ybi—V2—V4xii | 174.017 (13) | O6xi—V2—O7viii | 164.90 (7) |
Ybxviii—V2—Ybxix | 87.029 (6) | O6v—V2—O7viii | 83.29 (6) |
Ybxviii—V2—V1xi | 92.711 (9) | O1ix—V3—O4viii | 172.59 (7) |
Ybxviii—V2—V1i | 113.633 (10) | O1ix—V3—O5xiii | 82.87 (7) |
Ybxviii—V2—V2x | 53.710 (8) | O1ix—V3—O7 | 86.94 (6) |
Ybxviii—V2—V3xi | 56.871 (7) | O1ix—V3—O8 | 97.25 (6) |
Ybxviii—V2—V3viii | 159.382 (11) | O1ix—V3—O8viii | 87.55 (7) |
Ybxviii—V2—V4vii | 49.098 (8) | O4viii—V3—O5xiii | 89.75 (7) |
Ybxviii—V2—V4 | 135.796 (12) | O4viii—V3—O7 | 93.38 (6) |
Ybxviii—V2—V4xii | 91.814 (10) | O4viii—V3—O8 | 82.76 (6) |
Ybxix—V2—V1xi | 56.824 (7) | O4viii—V3—O8viii | 99.82 (7) |
Ybxix—V2—V1i | 159.336 (11) | O5xiii—V3—O7 | 87.37 (6) |
Ybxix—V2—V2x | 93.785 (10) | O5xiii—V3—O8 | 95.37 (6) |
Ybxix—V2—V3xi | 90.191 (9) | O5xiii—V3—O8viii | 170.42 (7) |
Ybxix—V2—V3viii | 113.006 (10) | O7—V3—O8 | 175.24 (7) |
Ybxix—V2—V4vii | 136.115 (12) | O7—V3—O8viii | 92.51 (6) |
Ybxix—V2—V4 | 48.779 (8) | O8—V3—O8viii | 85.44 (6) |
Ybxix—V2—V4xii | 51.814 (8) | O2xi—V4—O2vi | 81.24 (6) |
V1xi—V2—V1i | 118.748 (12) | O2xi—V4—O3viii | 175.32 (6) |
V1xi—V2—V2x | 138.443 (14) | O2xi—V4—O5 | 93.23 (6) |
V1xi—V2—V3xi | 49.137 (9) | O2xi—V4—O6xiv | 88.19 (6) |
V1xi—V2—V3viii | 94.423 (11) | O2xi—V4—O7viii | 86.47 (6) |
V1xi—V2—V4vii | 117.329 (14) | O2vi—V4—O3viii | 96.42 (6) |
V1xi—V2—V4 | 66.082 (11) | O2vi—V4—O5 | 171.65 (6) |
V1xi—V2—V4xii | 108.053 (13) | O2vi—V4—O6xiv | 82.14 (6) |
V1i—V2—V2x | 98.784 (12) | O2vi—V4—O7viii | 85.85 (6) |
V1i—V2—V3xi | 100.702 (11) | O3viii—V4—O5 | 88.64 (7) |
V1i—V2—V3viii | 46.399 (8) | O3viii—V4—O6xiv | 87.47 (6) |
V1i—V2—V4vii | 64.549 (10) | O3viii—V4—O7viii | 97.43 (6) |
V1i—V2—V4 | 110.566 (13) | O5—V4—O6xiv | 91.49 (6) |
V1i—V2—V4xii | 124.055 (13) | O5—V4—O7viii | 100.11 (7) |
V2x—V2—V3xi | 110.066 (12) | O6xiv—V4—O7viii | 167.47 (7) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) x+1/2, −y+3/2, z−1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) −x+3/2, y+1/2, −z+1/2; (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+1, −z+1; (ix) −x+1/2, y+1/2, −z+1/2; (x) −x+1, −y, −z; (xi) −x+1/2, y−1/2, −z+1/2; (xii) −x+1, −y, −z+1; (xiii) −x+1/2, y+1/2, −z+3/2; (xiv) −x+1/2, y−1/2, −z+3/2; (xv) x−1/2, −y+3/2, z−1/2; (xvi) x−1/2, −y+3/2, z+1/2; (xvii) −x+3/2, y−1/2, −z+1/2; (xviii) x−1/2, −y+1/2, z−1/2; (xix) x−1/2, −y+1/2, z+1/2; (xx) x, y, z+1. |
O8V4Yb | F(000) = 904 |
Mr = 504.8 | LeBail fit of synchrotrn powder data. |
Monoclinic, P21/n | Dx = 6.056 Mg m−3 |
Hall symbol: -P 2yabc | Synchrotron radiation, λ = 0.47686 Å |
a = 9.0641 (3) Å | Cell parameters from 378 reflections |
b = 10.6229 (4) Å | θ = 1–10° |
c = 5.7487 (3) Å | µ = 7.91 mm−1 |
β = 90.182 (3)° | T = 150 K |
V = 553.52 (4) Å3 | Irregular, black |
Z = 4 | 0.11 × 0.10 × 0.09 mm |
Huber 4-circle diffractometer | 6572 independent reflections |
Radiation source: Hasylab; D3 | 5643 reflections with I > 3σ(I) |
Detector resolution: Mar-CCD165 pixels mm-1 | Rint = 0.056 |
$πhi$–scans | θmax = 32.6°, θmin = 2° |
Absorption correction: numerical Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus) | h = −20→20 |
Tmin = 0.669, Tmax = 0.822 | k = −23→18 |
62291 measured reflections | l = −12→12 |
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
R[F2 > 2σ(F2)] = 0.033 | (Δ/σ)max = 0.032 |
wR(F2) = 0.038 | Δρmax = 5.09 e Å−3 |
S = 1.74 | Δρmin = −7.73 e Å−3 |
6572 reflections | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
119 parameters | Extinction coefficient: 3251 (320) |
x | y | z | Uiso*/Ueq | ||
Yb | 0.758073 (9) | 0.657619 (8) | 0.126267 (15) | 0.002986 (18 | |
V1 | 0.42668 (4) | 0.61865 (3) | 0.12330 (6) | 0.00305 (6) | |
V2 | 0.40833 (4) | 0.09723 (3) | 0.12451 (6) | 0.00301 (6) | |
V3 | 0.45556 (4) | 0.61090 (3) | 0.62661 (6) | 0.00330 (6) | |
V4 | 0.41845 (4) | 0.10573 (3) | 0.62581 (6) | 0.00328 (6) | |
O1 | 0.20307 (19) | 0.15878 (14) | 0.1135 (3) | 0.0049 (3) | |
O2 | 0.11994 (18) | 0.47314 (15) | 0.1173 (3) | 0.0043 (3) | |
O3 | 0.53982 (18) | 0.77649 (15) | 0.1211 (3) | 0.0043 (3) | |
O4 | 0.41358 (18) | 0.43099 (15) | 0.1163 (3) | 0.0045 (3) | |
O5 | 0.20814 (19) | 0.15818 (14) | 0.6381 (3) | 0.0053 (3) | |
O6 | 0.11373 (18) | 0.47488 (15) | 0.6339 (3) | 0.0043 (3) | |
O7 | 0.51258 (18) | 0.78865 (15) | 0.6273 (3) | 0.0049 (3) | |
O8 | 0.41506 (18) | 0.42737 (15) | 0.6328 (3) | 0.0045 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb | 0.00266 (3) | 0.00282 (3) | 0.00347 (3) | 0.000120 (19) | −0.00014 (2) | −0.000097 (19) |
V1 | 0.00297 (10) | 0.00267 (10) | 0.00349 (10) | −0.00021 (8) | −0.00014 (8) | −0.00016 (7) |
V2 | 0.00335 (10) | 0.00278 (10) | 0.00291 (10) | 0.00026 (8) | −0.00011 (8) | 0.00014 (7) |
V3 | 0.00366 (10) | 0.00300 (10) | 0.00323 (10) | −0.00008 (8) | −0.00030 (8) | 0.00015 (7) |
V4 | 0.00388 (10) | 0.00268 (10) | 0.00328 (10) | −0.00004 (8) | 0.00025 (8) | −0.00012 (8) |
O1 | 0.0043 (5) | 0.0057 (5) | 0.0047 (5) | 0.0001 (4) | 0.0004 (4) | 0.0002 (4) |
O2 | 0.0044 (5) | 0.0041 (5) | 0.0043 (5) | 0.0000 (4) | 0.0000 (4) | −0.0006 (4) |
O3 | 0.0055 (5) | 0.0030 (4) | 0.0043 (5) | −0.0005 (4) | −0.0001 (4) | 0.0003 (3) |
O4 | 0.0044 (5) | 0.0049 (5) | 0.0042 (5) | 0.0000 (4) | −0.0002 (4) | 0.0003 (4) |
O5 | 0.0053 (5) | 0.0056 (5) | 0.0050 (5) | −0.0005 (4) | −0.0003 (4) | 0.0000 (4) |
O6 | 0.0045 (5) | 0.0040 (5) | 0.0045 (5) | 0.0005 (4) | −0.0004 (4) | 0.0008 (4) |
O7 | 0.0054 (5) | 0.0042 (5) | 0.0051 (5) | −0.0005 (4) | 0.0000 (4) | −0.0004 (4) |
O8 | 0.0042 (5) | 0.0050 (5) | 0.0044 (5) | −0.0002 (4) | 0.0001 (4) | 0.0006 (4) |
Yb—V1 | 3.0322 (4) | Yb—O1i | 2.4147 (16) |
Yb—V1i | 3.6688 (3) | Yb—O2i | 2.2634 (16) |
Yb—V1ii | 4.0463 (4) | Yb—O3 | 2.3471 (16) |
Yb—V1iii | 4.0150 (4) | Yb—O4i | 2.2884 (16) |
Yb—V2iv | 3.4029 (4) | Yb—O5viii | 2.3990 (16) |
Yb—V2i | 3.3349 (3) | Yb—O6viii | 2.2852 (16) |
Yb—V2v | 4.1867 (3) | Yb—O7ii | 2.3765 (17) |
Yb—V2vi | 4.1669 (3) | Yb—O8viii | 2.2825 (16) |
Yb—V3vii | 3.9957 (4) | V1—O1ix | 1.9661 (17) |
Yb—V3 | 4.0110 (4) | V1—O3 | 1.9655 (16) |
Yb—V3viii | 3.7312 (4) | V1—O4 | 1.9974 (16) |
Yb—V3ii | 3.0415 (4) | V1—O4i | 2.0697 (16) |
Yb—V4iv | 3.3207 (4) | V1—O5ix | 1.9788 (18) |
Yb—V4viii | 3.3054 (3) | V1—O8viii | 2.0615 (16) |
Yb—V4v | 3.1527 (3) | V2—O1 | 1.9729 (17) |
V1—V1i | 3.1848 (5) | V2—O2xi | 2.0019 (16) |
V1—V2ix | 3.3767 (5) | V2—O3i | 2.0046 (16) |
V1—V2i | 3.6591 (5) | V2—O6xi | 1.9834 (16) |
V1—V3vii | 2.8693 (5) | V2—O6v | 2.0138 (16) |
V1—V3 | 2.9055 (5) | V2—O7viii | 2.0032 (17) |
V1—V3viii | 3.0238 (5) | V3—O1ix | 2.0539 (17) |
V1—V4ix | 3.4391 (5) | V3—O4viii | 1.9439 (16) |
V1—V4viii | 3.5511 (5) | V3—O5xiii | 2.0728 (18) |
V2—V2x | 3.0154 (5) | V3—O7 | 1.9577 (16) |
V2—V3xi | 3.5992 (5) | V3—O8 | 1.9842 (16) |
V2—V3viii | 3.6292 (5) | V3—O8viii | 1.9432 (16) |
V2—V4vii | 2.8701 (5) | V4—O2xi | 2.0139 (16) |
V2—V4 | 2.8844 (5) | V4—O2vi | 2.0101 (16) |
V2—V4xii | 3.0264 (5) | V4—O3viii | 1.9549 (16) |
V3—V3viii | 2.8857 (5) | V4—O5 | 1.9875 (18) |
V3—V4xiii | 3.6813 (5) | V4—O6xiv | 1.9820 (16) |
V3—V4viii | 3.5329 (5) | V4—O7viii | 1.9422 (17) |
V4—V4xii | 3.0557 (5) | ||
V1—Yb—V1i | 55.783 (9) | V2x—V2—V3viii | 125.819 (14) |
V1—Yb—V1ii | 116.908 (9) | V2x—V2—V4vii | 61.831 (12) |
V1—Yb—V1iii | 117.364 (9) | V2x—V2—V4 | 118.682 (15) |
V1—Yb—V2iv | 148.821 (9) | V2x—V2—V4xii | 56.722 (11) |
V1—Yb—V2i | 69.971 (9) | V3xi—V2—V3viii | 115.695 (12) |
V1—Yb—V2v | 103.431 (8) | V3xi—V2—V4vii | 68.299 (11) |
V1—Yb—V2vi | 103.698 (8) | V3xi—V2—V4 | 115.193 (14) |
V1—Yb—V3vii | 45.689 (8) | V3xi—V2—V4xii | 133.818 (14) |
V1—Yb—V3 | 46.186 (8) | V3viii—V2—V4vii | 110.793 (13) |
V1—Yb—V3viii | 51.864 (8) | V3viii—V2—V4 | 64.512 (11) |
V1—Yb—V3ii | 133.899 (10) | V3viii—V2—V4xii | 104.268 (13) |
V1—Yb—V4iv | 148.311 (9) | V4vii—V2—V4 | 174.870 (17) |
V1—Yb—V4viii | 67.998 (9) | V4vii—V2—V4xii | 118.554 (15) |
V1—Yb—V4v | 109.611 (9) | V4—V2—V4xii | 62.204 (12) |
V1i—Yb—V1ii | 111.308 (8) | Yb—V3—Ybxx | 91.777 (8) |
V1i—Yb—V1iii | 157.522 (8) | Yb—V3—Ybviii | 136.420 (10) |
V1i—Yb—V2iv | 114.689 (8) | Yb—V3—Ybxvi | 107.649 (10) |
V1i—Yb—V2i | 104.499 (8) | Yb—V3—V1 | 48.854 (9) |
V1i—Yb—V2v | 50.389 (7) | Yb—V3—V1xx | 140.787 (13) |
V1i—Yb—V2vi | 84.081 (7) | Yb—V3—V1viii | 101.516 (11) |
V1i—Yb—V3vii | 46.228 (7) | Yb—V3—V2ix | 110.186 (10) |
V1i—Yb—V3 | 82.486 (8) | Yb—V3—V2viii | 86.829 (9) |
V1i—Yb—V3viii | 45.618 (8) | Yb—V3—V3viii | 63.044 (10) |
V1i—Yb—V3ii | 156.187 (9) | Yb—V3—V4xiii | 155.724 (12) |
V1i—Yb—V4iv | 95.688 (8) | Yb—V3—V4viii | 51.497 (7) |
V1i—Yb—V4viii | 123.781 (9) | Ybxx—V3—Ybviii | 100.197 (8) |
V1i—Yb—V4v | 59.984 (8) | Ybxx—V3—Ybxvi | 107.613 (10) |
V1ii—Yb—V1iii | 90.978 (7) | Ybxx—V3—V1 | 140.516 (13) |
V1ii—Yb—V2iv | 94.271 (8) | Ybxx—V3—V1xx | 49.129 (9) |
V1ii—Yb—V2i | 53.397 (8) | Ybxx—V3—V1viii | 61.180 (9) |
V1ii—Yb—V2v | 76.294 (7) | Ybxx—V3—V2ix | 156.820 (12) |
V1ii—Yb—V2vi | 138.542 (7) | Ybxx—V3—V2viii | 51.600 (7) |
V1ii—Yb—V3vii | 79.580 (7) | Ybxx—V3—V3viii | 105.783 (12) |
V1ii—Yb—V3 | 147.749 (7) | Ybxx—V3—V4xiii | 110.770 (10) |
V1ii—Yb—V3viii | 156.745 (8) | Ybxx—V3—V4viii | 88.135 (9) |
V1ii—Yb—V3ii | 45.731 (8) | Ybviii—V3—Ybxvi | 108.191 (10) |
V1ii—Yb—V4iv | 56.610 (8) | Ybviii—V3—V1 | 110.829 (12) |
V1ii—Yb—V4viii | 92.627 (8) | Ybviii—V3—V1xx | 66.043 (10) |
V1ii—Yb—V4v | 110.207 (8) | Ybviii—V3—V1viii | 52.069 (9) |
V1iii—Yb—V2iv | 58.418 (8) | Ybviii—V3—V2ix | 69.257 (8) |
V1iii—Yb—V2i | 90.916 (8) | Ybviii—V3—V2viii | 132.782 (12) |
V1iii—Yb—V2v | 138.515 (7) | Ybviii—V3—V3viii | 73.376 (10) |
V1iii—Yb—V2vi | 76.854 (7) | Ybviii—V3—V4xiii | 50.336 (7) |
V1iii—Yb—V3vii | 147.553 (7) | Ybviii—V3—V4viii | 167.576 (13) |
V1iii—Yb—V3 | 79.772 (7) | Ybxvi—V3—V1 | 85.715 (11) |
V1iii—Yb—V3viii | 112.235 (8) | Ybxvi—V3—V1xx | 85.521 (12) |
V1iii—Yb—V3ii | 45.435 (8) | Ybxvi—V3—V1viii | 149.225 (15) |
V1iii—Yb—V4iv | 94.255 (8) | Ybxvi—V3—V2ix | 59.588 (8) |
V1iii—Yb—V4viii | 55.014 (8) | Ybxvi—V3—V2viii | 60.586 (8) |
V1iii—Yb—V4v | 110.572 (8) | Ybxvi—V3—V3viii | 145.594 (15) |
V2iv—Yb—V2i | 136.827 (9) | Ybxvi—V3—V4xiii | 57.969 (8) |
V2iv—Yb—V2v | 82.969 (8) | Ybxvi—V3—V4viii | 60.125 (8) |
V2iv—Yb—V2vi | 45.577 (7) | V1—V3—V1xx | 169.093 (17) |
V2iv—Yb—V3vii | 152.385 (8) | V1—V3—V1viii | 121.795 (15) |
V2iv—Yb—V3 | 106.459 (8) | V1—V3—V2ix | 61.456 (11) |
V2iv—Yb—V3viii | 99.038 (8) | V1—V3—V2viii | 113.442 (13) |
V2iv—Yb—V3ii | 68.283 (9) | V1—V3—V3viii | 62.949 (12) |
V2iv—Yb—V4iv | 50.789 (9) | V1—V3—V4xiii | 107.774 (13) |
V2iv—Yb—V4viii | 113.114 (9) | V1—V3—V4viii | 66.113 (11) |
V2iv—Yb—V4v | 54.827 (9) | V1xx—V3—V1viii | 65.365 (12) |
V2i—Yb—V2v | 110.780 (8) | V1xx—V3—V2ix | 108.295 (14) |
V2i—Yb—V2vi | 161.969 (8) | V1xx—V3—V2viii | 67.366 (11) |
V2i—Yb—V3vii | 58.522 (8) | V1xx—V3—V3viii | 123.498 (15) |
V2i—Yb—V3 | 95.586 (8) | V1xx—V3—V4xiii | 61.878 (11) |
V2i—Yb—V3viii | 121.805 (8) | V1xx—V3—V4viii | 114.515 (14) |
V2i—Yb—V3ii | 68.550 (9) | V1viii—V3—V2ix | 118.674 (13) |
V2i—Yb—V4iv | 109.860 (9) | V1viii—V3—V2viii | 112.488 (13) |
V2i—Yb—V4viii | 51.215 (9) | V1viii—V3—V3viii | 58.846 (12) |
V2i—Yb—V4v | 154.222 (9) | V1viii—V3—V4xiii | 97.370 (12) |
V2v—Yb—V2vi | 86.970 (7) | V1viii—V3—V4viii | 140.205 (15) |
V2v—Yb—V3vii | 69.416 (7) | V2ix—V3—V2viii | 120.170 (12) |
V2v—Yb—V3 | 129.693 (7) | V2ix—V3—V3viii | 91.242 (13) |
V2v—Yb—V3viii | 86.465 (7) | V2ix—V3—V4xiii | 46.417 (9) |
V2v—Yb—V3ii | 109.298 (8) | V2ix—V3—V4viii | 99.593 (12) |
V2v—Yb—V4iv | 45.767 (8) | V2viii—V3—V3viii | 143.258 (15) |
V2v—Yb—V4viii | 161.408 (8) | V2viii—V3—V4xiii | 99.942 (11) |
V2v—Yb—V4v | 43.502 (8) | V2viii—V3—V4viii | 47.474 (9) |
V2vi—Yb—V3vii | 129.458 (7) | V3viii—V3—V4xiii | 116.216 (14) |
V2vi—Yb—V3 | 69.475 (7) | V3viii—V3—V4viii | 113.415 (14) |
V2vi—Yb—V3viii | 53.877 (7) | V4xiii—V3—V4viii | 118.085 (12) |
V2vi—Yb—V3ii | 109.496 (8) | Ybxvii—V4—Ybviii | 119.420 (10) |
V2vi—Yb—V4iv | 84.549 (8) | Ybxvii—V4—Ybxix | 123.739 (11) |
V2vi—Yb—V4viii | 110.814 (8) | Ybxvii—V4—V1xi | 127.945 (12) |
V2vi—Yb—V4v | 43.479 (8) | Ybxvii—V4—V1viii | 72.058 (9) |
V3vii—Yb—V3 | 91.777 (7) | Ybxvii—V4—V2 | 66.079 (10) |
V3vii—Yb—V3viii | 79.803 (8) | Ybxvii—V4—V2xx | 118.177 (13) |
V3vii—Yb—V3ii | 120.226 (9) | Ybxvii—V4—V2xii | 82.402 (11) |
V3vii—Yb—V4iv | 105.696 (8) | Ybxvii—V4—V3xiv | 169.017 (12) |
V3vii—Yb—V4viii | 94.152 (8) | Ybxvii—V4—V3viii | 52.579 (8) |
V3vii—Yb—V4v | 101.804 (8) | Ybxvii—V4—V4xii | 59.090 (9) |
V3—Yb—V3viii | 43.580 (7) | Ybviii—V4—Ybxix | 116.787 (11) |
V3—Yb—V3ii | 120.215 (9) | Ybviii—V4—V1xi | 73.038 (9) |
V3—Yb—V4iv | 154.020 (8) | Ybviii—V4—V1viii | 52.344 (8) |
V3—Yb—V4viii | 56.765 (8) | Ybviii—V4—V2 | 116.150 (13) |
V3—Yb—V4v | 101.951 (8) | Ybviii—V4—V2xx | 64.924 (10) |
V3viii—Yb—V3ii | 157.513 (9) | Ybviii—V4—V2xii | 126.045 (13) |
V3viii—Yb—V4iv | 119.951 (8) | Ybviii—V4—V3xiv | 51.267 (7) |
V3viii—Yb—V4viii | 99.483 (8) | Ybviii—V4—V3viii | 71.738 (9) |
V3viii—Yb—V4v | 64.011 (8) | Ybviii—V4—V4xii | 177.178 (14) |
V3ii—Yb—V4iv | 67.296 (9) | Ybxix—V4—V1xi | 67.477 (9) |
V3ii—Yb—V4viii | 70.764 (9) | Ybxix—V4—V1viii | 155.917 (13) |
V3ii—Yb—V4v | 116.489 (10) | Ybxix—V4—V2 | 87.698 (11) |
V4iv—Yb—V4viii | 138.046 (9) | Ybxix—V4—V2xx | 87.423 (11) |
V4iv—Yb—V4v | 56.261 (9) | Ybxix—V4—V2xii | 66.795 (9) |
V4viii—Yb—V4v | 154.035 (9) | Ybxix—V4—V3xiv | 65.653 (9) |
Yb—V1—Ybi | 124.217 (11) | Ybxix—V4—V3viii | 154.964 (13) |
Yb—V1—Ybxv | 107.338 (9) | Ybxix—V4—V4xii | 64.649 (9) |
Yb—V1—Ybxvi | 106.989 (9) | V1xi—V4—V1viii | 119.611 (12) |
Yb—V1—V1i | 72.285 (10) | V1xi—V4—V2 | 63.846 (11) |
Yb—V1—V2ix | 154.022 (14) | V1xi—V4—V2xx | 112.661 (14) |
Yb—V1—V2i | 58.901 (8) | V1xi—V4—V2xii | 134.087 (14) |
Yb—V1—V3vii | 85.182 (12) | V1xi—V4—V3xiv | 47.377 (9) |
Yb—V1—V3 | 84.960 (12) | V1xi—V4—V3viii | 95.149 (12) |
Yb—V1—V3viii | 76.067 (11) | V1xi—V4—V4xii | 105.844 (13) |
Yb—V1—V4ix | 155.173 (14) | V1viii—V4—V2 | 116.289 (14) |
Yb—V1—V4viii | 59.658 (8) | V1viii—V4—V2xx | 68.537 (11) |
Ybi—V1—Ybxv | 91.317 (8) | V1viii—V4—V2xii | 101.007 (13) |
Ybi—V1—Ybxvi | 125.193 (10) | V1viii—V4—V3xiv | 101.186 (12) |
Ybi—V1—V1i | 51.932 (8) | V1viii—V4—V3viii | 48.428 (9) |
Ybi—V1—V2ix | 72.783 (9) | V1viii—V4—V4xii | 127.385 (14) |
Ybi—V1—V2i | 133.962 (12) | V2—V4—V2xx | 174.870 (17) |
Ybi—V1—V3vii | 68.339 (10) | V2—V4—V2xii | 117.796 (15) |
Ybi—V1—V3 | 113.974 (12) | V2—V4—V3xiv | 111.121 (14) |
Ybi—V1—V3viii | 72.592 (10) | V2—V4—V3viii | 68.014 (11) |
Ybi—V1—V4ix | 52.540 (8) | V2—V4—V4xii | 61.179 (12) |
Ybi—V1—V4viii | 176.124 (13) | V2xx—V4—V2xii | 61.446 (12) |
Ybxv—V1—Ybxvi | 90.978 (7) | V2xx—V4—V3xiv | 65.284 (11) |
Ybxv—V1—V1i | 108.073 (11) | V2xx—V4—V3viii | 116.647 (14) |
Ybxv—V1—V2ix | 90.267 (10) | V2xx—V4—V4xii | 117.824 (15) |
Ybxv—V1—V2i | 52.395 (7) | V2xii—V4—V3xiv | 107.714 (13) |
Ybxv—V1—V3vii | 49.044 (9) | V2xii—V4—V3viii | 129.339 (14) |
Ybxv—V1—V3 | 139.317 (13) | V2xii—V4—V4xii | 56.618 (11) |
Ybxv—V1—V3viii | 161.575 (13) | V3xiv—V4—V3viii | 116.446 (12) |
Ybxv—V1—V4ix | 51.947 (8) | V3xiv—V4—V4xii | 129.902 (13) |
Ybxv—V1—V4viii | 87.138 (9) | V3viii—V4—V4xii | 105.928 (13) |
Ybxvi—V1—V1i | 160.408 (13) | O1i—Yb—O2i | 94.02 (6) |
Ybxvi—V1—V2ix | 52.453 (8) | O1i—Yb—O3 | 71.50 (6) |
Ybxvi—V1—V2i | 87.104 (9) | O1i—Yb—O4i | 94.85 (6) |
Ybxvi—V1—V3vii | 139.801 (13) | O1i—Yb—O5viii | 69.20 (6) |
Ybxvi—V1—V3 | 48.554 (9) | O1i—Yb—O6viii | 140.09 (6) |
Ybxvi—V1—V3viii | 105.515 (12) | O1i—Yb—O7ii | 70.37 (6) |
Ybxvi—V1—V4ix | 88.618 (10) | O1i—Yb—O8viii | 140.14 (6) |
Ybxvi—V1—V4viii | 51.332 (7) | O2i—Yb—O3 | 137.37 (6) |
V1i—V1—V2ix | 120.992 (13) | O2i—Yb—O4i | 72.73 (6) |
V1i—V1—V2i | 107.934 (13) | O2i—Yb—O5viii | 142.02 (6) |
V1i—V1—V3vii | 59.657 (11) | O2i—Yb—O6viii | 75.34 (6) |
V1i—V1—V3 | 112.608 (14) | O2i—Yb—O7ii | 70.90 (6) |
V1i—V1—V3viii | 54.978 (11) | O2i—Yb—O8viii | 118.09 (6) |
V1i—V1—V4ix | 99.407 (12) | O3—Yb—O4i | 69.03 (6) |
V1i—V1—V4viii | 131.943 (14) | O3—Yb—O5viii | 71.00 (6) |
V2ix—V1—V2i | 126.296 (13) | O3—Yb—O6viii | 139.99 (6) |
V2ix—V1—V3vii | 120.685 (15) | O3—Yb—O7ii | 133.55 (5) |
V2ix—V1—V3 | 69.442 (12) | O3—Yb—O8viii | 68.86 (6) |
V2ix—V1—V3viii | 93.330 (13) | O4i—Yb—O5viii | 139.90 (6) |
V2ix—V1—V4ix | 50.062 (10) | O4i—Yb—O6viii | 117.24 (6) |
V2ix—V1—V4viii | 103.654 (12) | O4i—Yb—O7ii | 139.32 (6) |
V2i—V1—V3vii | 66.268 (11) | O4i—Yb—O8viii | 74.90 (6) |
V2i—V1—V3 | 112.050 (13) | O5viii—Yb—O6viii | 95.62 (6) |
V2i—V1—V3viii | 134.928 (14) | O5viii—Yb—O7ii | 71.37 (6) |
V2i—V1—V4ix | 104.073 (12) | O5viii—Yb—O8viii | 93.83 (6) |
V2i—V1—V4viii | 46.884 (9) | O6viii—Yb—O7ii | 69.80 (6) |
V3vii—V1—V3 | 169.093 (17) | O6viii—Yb—O8viii | 74.90 (6) |
V3vii—V1—V3viii | 114.635 (15) | O7ii—Yb—O8viii | 139.71 (6) |
V3vii—V1—V4ix | 70.745 (12) | O1ix—V1—O3 | 97.66 (7) |
V3vii—V1—V4viii | 112.994 (14) | O1ix—V1—O4 | 101.32 (7) |
V3—V1—V3viii | 58.205 (12) | O1ix—V1—O4i | 171.39 (7) |
V3—V1—V4ix | 119.504 (14) | O1ix—V1—O5ix | 99.73 (7) |
V3—V1—V4viii | 65.459 (11) | O1ix—V1—O8viii | 86.83 (7) |
V3viii—V1—V4ix | 119.017 (14) | O3—V1—O4 | 151.91 (7) |
V3viii—V1—V4viii | 109.470 (13) | O3—V1—O4i | 81.20 (7) |
V4ix—V1—V4viii | 124.050 (13) | O3—V1—O5ix | 97.76 (7) |
Ybxvii—V2—Ybi | 115.775 (10) | O3—V1—O8viii | 81.07 (7) |
Ybxvii—V2—Ybxviii | 134.423 (10) | O4—V1—O4i | 76.93 (6) |
Ybxvii—V2—Ybxix | 97.031 (8) | O4—V1—O5ix | 99.20 (7) |
Ybxvii—V2—V1xi | 127.273 (12) | O4—V1—O8viii | 79.53 (6) |
Ybxvii—V2—V1i | 69.188 (9) | O4i—V1—O5ix | 88.88 (7) |
Ybxvii—V2—V2x | 80.720 (10) | O4i—V1—O8viii | 84.57 (6) |
Ybxvii—V2—V3xi | 166.709 (12) | O5ix—V1—O8viii | 173.44 (7) |
Ybxvii—V2—V3viii | 51.131 (7) | O1—V2—O2xi | 96.84 (7) |
Ybxvii—V2—V4vii | 112.547 (13) | O1—V2—O3i | 88.78 (7) |
Ybxvii—V2—V4 | 63.131 (10) | O1—V2—O6xi | 95.75 (7) |
Ybxvii—V2—V4xii | 58.378 (9) | O1—V2—O6v | 176.99 (7) |
Ybi—V2—Ybxviii | 93.658 (8) | O1—V2—O7viii | 99.07 (7) |
Ybi—V2—Ybxix | 130.927 (10) | O2xi—V2—O3i | 173.52 (7) |
Ybi—V2—V1xi | 74.149 (9) | O2xi—V2—O6xi | 96.37 (7) |
Ybi—V2—V1i | 51.128 (7) | O2xi—V2—O6v | 81.39 (7) |
Ybi—V2—V2x | 125.372 (13) | O2xi—V2—O7viii | 85.23 (7) |
Ybi—V2—V3xi | 51.862 (8) | O3i—V2—O6xi | 86.23 (7) |
Ybi—V2—V3viii | 69.879 (8) | O3i—V2—O6v | 93.13 (7) |
Ybi—V2—V4vii | 63.861 (10) | O3i—V2—O7viii | 90.72 (7) |
Ybi—V2—V4 | 114.857 (13) | O6xi—V2—O6v | 82.06 (7) |
Ybi—V2—V4xii | 174.026 (14) | O6xi—V2—O7viii | 164.80 (7) |
Ybxviii—V2—Ybxix | 86.970 (7) | O6v—V2—O7viii | 83.25 (7) |
Ybxviii—V2—V1xi | 92.665 (10) | O1ix—V3—O4viii | 172.68 (7) |
Ybxviii—V2—V1i | 113.664 (10) | O1ix—V3—O5xiii | 82.97 (7) |
Ybxviii—V2—V2x | 53.703 (8) | O1ix—V3—O7 | 86.95 (7) |
Ybxviii—V2—V3xi | 56.866 (7) | O1ix—V3—O8 | 97.25 (6) |
Ybxviii—V2—V3viii | 159.389 (11) | O1ix—V3—O8viii | 87.65 (7) |
Ybxviii—V2—V4vii | 49.099 (9) | O4viii—V3—O5xiii | 89.74 (7) |
Ybxviii—V2—V4 | 135.759 (12) | O4viii—V3—O7 | 93.37 (7) |
Ybxviii—V2—V4xii | 91.783 (10) | O4viii—V3—O8 | 82.75 (7) |
Ybxix—V2—V1xi | 56.828 (8) | O4viii—V3—O8viii | 99.64 (7) |
Ybxix—V2—V1i | 159.363 (11) | O5xiii—V3—O7 | 87.40 (7) |
Ybxix—V2—V2x | 93.733 (10) | O5xiii—V3—O8 | 95.36 (6) |
Ybxix—V2—V3xi | 90.157 (9) | O5xiii—V3—O8viii | 170.61 (7) |
Ybxix—V2—V3viii | 113.063 (10) | O7—V3—O8 | 175.22 (7) |
Ybxix—V2—V4vii | 136.057 (12) | O7—V3—O8viii | 92.48 (7) |
Ybxix—V2—V4 | 48.800 (8) | O8—V3—O8viii | 85.43 (7) |
Ybxix—V2—V4xii | 51.831 (8) | O2xi—V4—O2vi | 81.18 (7) |
V1xi—V2—V1i | 118.735 (12) | O2xi—V4—O3viii | 175.39 (7) |
V1xi—V2—V2x | 138.390 (14) | O2xi—V4—O5 | 93.27 (7) |
V1xi—V2—V3xi | 49.102 (9) | O2xi—V4—O6xiv | 88.16 (7) |
V1xi—V2—V3viii | 94.485 (11) | O2xi—V4—O7viii | 86.52 (7) |
V1xi—V2—V4vii | 117.283 (14) | O2vi—V4—O3viii | 96.38 (7) |
V1xi—V2—V4 | 66.092 (12) | O2vi—V4—O5 | 171.62 (7) |
V1xi—V2—V4xii | 108.075 (13) | O2vi—V4—O6xiv | 81.97 (7) |
V1i—V2—V2x | 98.840 (12) | O2vi—V4—O7viii | 85.87 (7) |
V1i—V2—V3xi | 100.702 (11) | O3viii—V4—O5 | 88.71 (7) |
V1i—V2—V3viii | 46.366 (9) | O3viii—V4—O6xiv | 87.63 (7) |
V1i—V2—V4vii | 64.579 (11) | O3viii—V4—O7viii | 97.23 (7) |
V1i—V2—V4 | 110.573 (13) | O5—V4—O6xiv | 91.63 (7) |
V1i—V2—V4xii | 124.070 (14) | O5—V4—O7viii | 100.12 (7) |
V2x—V2—V3xi | 110.056 (13) | O6xiv—V4—O7viii | 167.35 (7) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) x+1/2, −y+3/2, z−1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) −x+3/2, y+1/2, −z+1/2; (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+1, −z+1; (ix) −x+1/2, y+1/2, −z+1/2; (x) −x+1, −y, −z; (xi) −x+1/2, y−1/2, −z+1/2; (xii) −x+1, −y, −z+1; (xiii) −x+1/2, y+1/2, −z+3/2; (xiv) −x+1/2, y−1/2, −z+3/2; (xv) x−1/2, −y+3/2, z−1/2; (xvi) x−1/2, −y+3/2, z+1/2; (xvii) −x+3/2, y−1/2, −z+1/2; (xviii) x−1/2, −y+1/2, z−1/2; (xix) x−1/2, −y+1/2, z+1/2; (xx) x, y, z+1. |
O8V4Yb | F(000) = 904 |
Mr = 504.8 | LeBail fit of synchrotrn powder data. |
Monoclinic, P21/n | Dx = 6.053 Mg m−3 |
Hall symbol: -P 2yabc | Synchrotron radiation, λ = 0.47686 Å |
a = 9.0675 (3) Å | Cell parameters from 378 reflections |
b = 10.6264 (4) Å | θ = 1–10° |
c = 5.7473 (3) Å | µ = 7.90 mm−1 |
β = 90.190 (2)° | T = 100 K |
V = 553.78 (4) Å3 | Irregular, black |
Z = 4 | 0.11 × 0.10 × 0.09 mm |
Huber 4-circle diffractometer | 6567 independent reflections |
Radiation source: Hasylab; D3 | 5646 reflections with I > 3σ(I) |
Detector resolution: Mar-CCD165 pixels mm-1 | Rint = 0.050 |
$πhi$–scans | θmax = 32.6°, θmin = 2° |
Absorption correction: numerical Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus) | h = −20→20 |
Tmin = 0.707, Tmax = 0.785 | k = −23→18 |
54937 measured reflections | l = −12→12 |
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
R[F2 > 2σ(F2)] = 0.033 | (Δ/σ)max = 0.031 |
wR(F2) = 0.036 | Δρmax = 5.55 e Å−3 |
S = 1.92 | Δρmin = −8.82 e Å−3 |
6567 reflections | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
119 parameters | Extinction coefficient: 2552 (282) |
x | y | z | Uiso*/Ueq | ||
Yb | 0.758051 (10) | 0.657602 (8) | 0.126199 (15) | 0.002486 (18 | |
V1 | 0.42681 (4) | 0.61862 (3) | 0.12330 (6) | 0.00272 (6) | |
V2 | 0.40833 (4) | 0.09728 (3) | 0.12454 (6) | 0.00271 (6) | |
V3 | 0.45535 (4) | 0.61083 (3) | 0.62663 (6) | 0.00292 (6) | |
V4 | 0.41837 (4) | 0.10582 (3) | 0.62571 (6) | 0.00286 (6) | |
O1 | 0.20321 (19) | 0.15876 (15) | 0.1138 (3) | 0.0046 (3) | |
O2 | 0.12024 (18) | 0.47306 (15) | 0.1175 (3) | 0.0039 (3) | |
O3 | 0.53979 (19) | 0.77643 (15) | 0.1209 (3) | 0.0040 (3) | |
O4 | 0.41343 (18) | 0.43114 (15) | 0.1162 (3) | 0.0042 (3) | |
O5 | 0.20816 (19) | 0.15829 (15) | 0.6380 (3) | 0.0050 (3) | |
O6 | 0.11365 (18) | 0.47497 (15) | 0.6337 (3) | 0.0042 (3) | |
O7 | 0.51243 (19) | 0.78839 (15) | 0.6273 (3) | 0.0045 (3) | |
O8 | 0.41503 (18) | 0.42737 (15) | 0.6331 (3) | 0.0044 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb | 0.00238 (3) | 0.00199 (3) | 0.00308 (3) | 0.00009 (2) | −0.000263 (19) | −0.000106 (19) |
V1 | 0.00284 (10) | 0.00186 (10) | 0.00346 (10) | −0.00021 (8) | −0.00024 (8) | −0.00012 (8) |
V2 | 0.00304 (10) | 0.00210 (10) | 0.00299 (10) | 0.00030 (8) | −0.00016 (8) | 0.00014 (8) |
V3 | 0.00334 (10) | 0.00225 (10) | 0.00315 (10) | −0.00005 (8) | −0.00042 (8) | 0.00016 (8) |
V4 | 0.00349 (10) | 0.00193 (10) | 0.00315 (10) | 0.00001 (8) | 0.00015 (8) | −0.00004 (8) |
O1 | 0.0043 (5) | 0.0049 (5) | 0.0046 (5) | 0.0005 (4) | 0.0003 (4) | 0.0001 (4) |
O2 | 0.0043 (5) | 0.0035 (5) | 0.0039 (5) | −0.0001 (4) | −0.0004 (4) | −0.0006 (4) |
O3 | 0.0049 (5) | 0.0029 (5) | 0.0043 (5) | −0.0005 (4) | −0.0005 (4) | 0.0002 (4) |
O4 | 0.0039 (5) | 0.0043 (5) | 0.0044 (5) | −0.0002 (4) | −0.0005 (4) | 0.0001 (4) |
O5 | 0.0051 (5) | 0.0047 (5) | 0.0052 (5) | −0.0005 (4) | −0.0006 (4) | 0.0000 (4) |
O6 | 0.0044 (5) | 0.0034 (5) | 0.0048 (5) | 0.0003 (4) | −0.0005 (4) | 0.0006 (4) |
O7 | 0.0049 (5) | 0.0032 (5) | 0.0054 (5) | −0.0003 (4) | −0.0004 (4) | 0.0001 (4) |
O8 | 0.0043 (5) | 0.0042 (5) | 0.0045 (5) | 0.0001 (4) | 0.0000 (4) | 0.0003 (4) |
Yb—V1 | 3.0319 (4) | Yb—O1i | 2.4160 (16) |
Yb—V1i | 3.6695 (4) | Yb—O2i | 2.2623 (16) |
Yb—V1ii | 4.0472 (4) | Yb—O3 | 2.3477 (17) |
Yb—V1iii | 4.0162 (4) | Yb—O4i | 2.2877 (16) |
Yb—V2iv | 3.4038 (4) | Yb—O5viii | 2.3992 (17) |
Yb—V2i | 3.3351 (4) | Yb—O6viii | 2.2872 (16) |
Yb—V2v | 4.1870 (4) | Yb—O7ii | 2.3769 (17) |
Yb—V2vi | 4.1677 (4) | Yb—O8viii | 2.2817 (17) |
Yb—V3vii | 3.9965 (4) | V1—O1ix | 1.9664 (18) |
Yb—V3 | 4.0131 (4) | V1—O3 | 1.9652 (17) |
Yb—V3viii | 3.7306 (4) | V1—O4 | 1.9963 (17) |
Yb—V3ii | 3.0423 (4) | V1—O4i | 2.0703 (17) |
Yb—V4iv | 3.3221 (4) | V1—O5ix | 1.9793 (18) |
Yb—V4viii | 3.3056 (4) | V1—O8viii | 2.0596 (17) |
Yb—V4v | 3.1541 (4) | V2—O1 | 1.9721 (17) |
V1—V1i | 3.1840 (5) | V2—O2xi | 2.0024 (16) |
V1—V2ix | 3.3787 (5) | V2—O3i | 2.0041 (17) |
V1—V2i | 3.6595 (5) | V2—O6xi | 1.9824 (17) |
V1—V3vii | 2.8683 (5) | V2—O6v | 2.0144 (17) |
V1—V3 | 2.9047 (5) | V2—O7viii | 2.0048 (17) |
V1—V3viii | 3.0236 (5) | V3—O1ix | 2.0550 (18) |
V1—V4ix | 3.4399 (5) | V3—O4viii | 1.9461 (17) |
V1—V4viii | 3.5515 (5) | V3—O5xiii | 2.0728 (18) |
V2—V2x | 3.0172 (5) | V3—O7 | 1.9565 (17) |
V2—V3xi | 3.5983 (5) | V3—O8 | 1.9839 (17) |
V2—V3viii | 3.6307 (5) | V3—O8viii | 1.9459 (17) |
V2—V4vii | 2.8701 (5) | V4—O2xi | 2.0158 (16) |
V2—V4 | 2.8829 (5) | V4—O2vi | 2.0140 (17) |
V2—V4xii | 3.0286 (5) | V4—O3viii | 1.9564 (17) |
V3—V3viii | 2.8863 (5) | V4—O5 | 1.9874 (18) |
V3—V4xiii | 3.6802 (5) | V4—O6xiv | 1.9829 (17) |
V3—V4viii | 3.5344 (5) | V4—O7viii | 1.9438 (17) |
V4—V4xii | 3.0580 (5) | ||
V1—Yb—V1i | 55.760 (9) | V2x—V2—V3viii | 125.794 (14) |
V1—Yb—V1ii | 116.952 (9) | V2x—V2—V4vii | 61.859 (12) |
V1—Yb—V1iii | 117.381 (9) | V2x—V2—V4 | 118.686 (15) |
V1—Yb—V2iv | 148.826 (9) | V2x—V2—V4xii | 56.684 (11) |
V1—Yb—V2i | 69.980 (9) | V3xi—V2—V3viii | 115.733 (12) |
V1—Yb—V2v | 103.443 (9) | V3xi—V2—V4vii | 68.287 (12) |
V1—Yb—V2vi | 103.686 (9) | V3xi—V2—V4 | 115.177 (14) |
V1—Yb—V3vii | 45.660 (9) | V3xi—V2—V4xii | 133.793 (14) |
V1—Yb—V3 | 46.144 (9) | V3viii—V2—V4vii | 110.766 (14) |
V1—Yb—V3viii | 51.870 (9) | V3viii—V2—V4 | 64.533 (11) |
V1—Yb—V3ii | 133.871 (10) | V3viii—V2—V4xii | 104.280 (13) |
V1—Yb—V4iv | 148.356 (10) | V4vii—V2—V4 | 174.879 (17) |
V1—Yb—V4viii | 68.007 (9) | V4vii—V2—V4xii | 118.543 (15) |
V1—Yb—V4v | 109.590 (10) | V4—V2—V4xii | 62.245 (12) |
V1i—Yb—V1ii | 111.360 (8) | Yb—V3—Ybxx | 91.705 (8) |
V1i—Yb—V1iii | 157.528 (8) | Yb—V3—Ybviii | 136.423 (10) |
V1i—Yb—V2iv | 114.709 (8) | Yb—V3—Ybxvi | 107.628 (10) |
V1i—Yb—V2i | 104.506 (9) | Yb—V3—V1 | 48.822 (9) |
V1i—Yb—V2v | 50.415 (8) | Yb—V3—V1xx | 140.702 (14) |
V1i—Yb—V2vi | 84.066 (8) | Yb—V3—V1viii | 101.483 (12) |
V1i—Yb—V3vii | 46.215 (8) | Yb—V3—V2ix | 110.212 (11) |
V1i—Yb—V3 | 82.437 (8) | Yb—V3—V2viii | 86.774 (9) |
V1i—Yb—V3viii | 45.601 (8) | Yb—V3—V3viii | 62.997 (10) |
V1i—Yb—V3ii | 156.227 (9) | Yb—V3—V4xiii | 155.756 (12) |
V1i—Yb—V4iv | 95.749 (9) | Yb—V3—V4viii | 51.474 (8) |
V1i—Yb—V4viii | 123.766 (9) | Ybxx—V3—Ybviii | 100.217 (8) |
V1i—Yb—V4v | 59.981 (9) | Ybxx—V3—Ybxvi | 107.606 (10) |
V1ii—Yb—V1iii | 90.920 (7) | Ybxx—V3—V1 | 140.413 (14) |
V1ii—Yb—V2iv | 94.221 (8) | Ybxx—V3—V1xx | 49.115 (9) |
V1ii—Yb—V2i | 53.422 (8) | Ybxx—V3—V1viii | 61.185 (9) |
V1ii—Yb—V2v | 76.328 (7) | Ybxx—V3—V2ix | 156.855 (12) |
V1ii—Yb—V2vi | 138.511 (7) | Ybxx—V3—V2viii | 51.587 (7) |
V1ii—Yb—V3vii | 79.654 (7) | Ybxx—V3—V3viii | 105.703 (12) |
V1ii—Yb—V3 | 147.747 (8) | Ybxx—V3—V4xiii | 110.794 (11) |
V1ii—Yb—V3viii | 156.785 (8) | Ybxx—V3—V4viii | 88.062 (10) |
V1ii—Yb—V3ii | 45.702 (8) | Ybviii—V3—Ybxvi | 108.240 (10) |
V1ii—Yb—V4iv | 56.599 (8) | Ybviii—V3—V1 | 110.879 (13) |
V1ii—Yb—V4viii | 92.627 (8) | Ybviii—V3—V1xx | 66.075 (10) |
V1ii—Yb—V4v | 110.210 (9) | Ybviii—V3—V1viii | 52.072 (9) |
V1iii—Yb—V2iv | 58.407 (8) | Ybviii—V3—V2ix | 69.288 (9) |
V1iii—Yb—V2i | 90.899 (8) | Ybviii—V3—V2viii | 132.811 (12) |
V1iii—Yb—V2v | 138.482 (7) | Ybviii—V3—V3viii | 73.426 (10) |
V1iii—Yb—V2vi | 76.879 (7) | Ybviii—V3—V4xiii | 50.373 (7) |
V1iii—Yb—V3vii | 147.548 (8) | Ybviii—V3—V4viii | 167.638 (13) |
V1iii—Yb—V3 | 79.827 (7) | Ybxvi—V3—V1 | 85.739 (12) |
V1iii—Yb—V3viii | 112.256 (8) | Ybxvi—V3—V1xx | 85.555 (12) |
V1iii—Yb—V3ii | 45.400 (9) | Ybxvi—V3—V1viii | 149.262 (15) |
V1iii—Yb—V4iv | 94.193 (8) | Ybxvi—V3—V2ix | 59.597 (9) |
V1iii—Yb—V4viii | 55.015 (8) | Ybxvi—V3—V2viii | 60.578 (9) |
V1iii—Yb—V4v | 110.584 (9) | Ybxvi—V3—V3viii | 145.652 (15) |
V2iv—Yb—V2i | 136.808 (9) | Ybxvi—V3—V4xiii | 57.982 (8) |
V2iv—Yb—V2v | 82.945 (8) | Ybxvi—V3—V4viii | 60.127 (9) |
V2iv—Yb—V2vi | 45.596 (8) | V1—V3—V1xx | 169.198 (18) |
V2iv—Yb—V3vii | 152.406 (8) | V1—V3—V1viii | 121.771 (15) |
V2iv—Yb—V3 | 106.502 (8) | V1—V3—V2ix | 61.516 (11) |
V2iv—Yb—V3viii | 99.040 (8) | V1—V3—V2viii | 113.393 (14) |
V2iv—Yb—V3ii | 68.295 (9) | V1—V3—V3viii | 62.948 (12) |
V2iv—Yb—V4iv | 50.744 (9) | V1—V3—V4xiii | 107.847 (14) |
V2iv—Yb—V4viii | 113.102 (9) | V1—V3—V4viii | 66.108 (11) |
V2iv—Yb—V4v | 54.850 (9) | V1xx—V3—V1viii | 65.361 (12) |
V2i—Yb—V2v | 110.821 (8) | V1xx—V3—V2ix | 108.350 (14) |
V2i—Yb—V2vi | 161.969 (8) | V1xx—V3—V2viii | 67.362 (11) |
V2i—Yb—V3vii | 58.540 (8) | V1xx—V3—V3viii | 123.492 (16) |
V2i—Yb—V3 | 95.562 (8) | V1xx—V3—V4xiii | 61.919 (11) |
V2i—Yb—V3viii | 121.820 (9) | V1xx—V3—V4viii | 114.471 (14) |
V2i—Yb—V3ii | 68.519 (9) | V1viii—V3—V2ix | 118.709 (14) |
V2i—Yb—V4iv | 109.875 (9) | V1viii—V3—V2viii | 112.481 (14) |
V2i—Yb—V4viii | 51.212 (9) | V1viii—V3—V3viii | 58.823 (12) |
V2i—Yb—V4v | 154.230 (9) | V1viii—V3—V4xiii | 97.404 (13) |
V2v—Yb—V2vi | 86.929 (7) | V1viii—V3—V4viii | 140.138 (15) |
V2v—Yb—V3vii | 69.461 (7) | V2ix—V3—V2viii | 120.171 (13) |
V2v—Yb—V3 | 129.666 (7) | V2ix—V3—V3viii | 91.333 (13) |
V2v—Yb—V3viii | 86.445 (8) | V2ix—V3—V4xiii | 46.431 (9) |
V2v—Yb—V3ii | 109.332 (9) | V2ix—V3—V4viii | 99.626 (12) |
V2v—Yb—V4iv | 45.799 (8) | V2viii—V3—V3viii | 143.143 (15) |
V2v—Yb—V4viii | 161.447 (8) | V2viii—V3—V4xiii | 99.948 (12) |
V2v—Yb—V4v | 43.471 (8) | V2viii—V3—V4viii | 47.428 (9) |
V2vi—Yb—V3vii | 129.428 (7) | V3viii—V3—V4xiii | 116.323 (14) |
V2vi—Yb—V3 | 69.502 (7) | V3viii—V3—V4viii | 113.360 (14) |
V2vi—Yb—V3viii | 53.860 (7) | V4xiii—V3—V4viii | 118.101 (13) |
V2vi—Yb—V3ii | 109.520 (9) | Ybxvii—V4—Ybviii | 119.430 (11) |
V2vi—Yb—V4iv | 84.527 (8) | Ybxvii—V4—Ybxix | 123.718 (11) |
V2vi—Yb—V4viii | 110.818 (8) | Ybxvii—V4—V1xi | 128.013 (12) |
V2vi—Yb—V4v | 43.468 (8) | Ybxvii—V4—V1viii | 72.057 (9) |
V3vii—Yb—V3 | 91.705 (8) | Ybxvii—V4—V2 | 66.095 (10) |
V3vii—Yb—V3viii | 79.783 (8) | Ybxvii—V4—V2xx | 118.135 (14) |
V3vii—Yb—V3ii | 120.241 (9) | Ybxvii—V4—V2xii | 82.354 (11) |
V3vii—Yb—V4iv | 105.770 (8) | Ybxvii—V4—V3xiv | 169.074 (13) |
V3vii—Yb—V4viii | 94.145 (8) | Ybxvii—V4—V3viii | 52.571 (8) |
V3vii—Yb—V4v | 101.796 (9) | Ybxvii—V4—V4xii | 59.084 (9) |
V3—Yb—V3viii | 43.577 (8) | Ybviii—V4—Ybxix | 116.800 (11) |
V3—Yb—V3ii | 120.210 (9) | Ybviii—V4—V1xi | 73.049 (9) |
V3—Yb—V4iv | 154.025 (8) | Ybviii—V4—V1viii | 52.334 (8) |
V3—Yb—V4viii | 56.767 (8) | Ybviii—V4—V2 | 116.179 (13) |
V3—Yb—V4v | 101.949 (9) | Ybviii—V4—V2xx | 64.925 (10) |
V3viii—Yb—V3ii | 157.502 (9) | Ybviii—V4—V2xii | 126.057 (13) |
V3viii—Yb—V4iv | 119.952 (8) | Ybviii—V4—V3xiv | 51.291 (8) |
V3viii—Yb—V4viii | 99.492 (9) | Ybviii—V4—V3viii | 71.759 (9) |
V3viii—Yb—V4v | 63.985 (9) | Ybviii—V4—V4xii | 177.235 (14) |
V3ii—Yb—V4iv | 67.301 (9) | Ybxix—V4—V1xi | 67.466 (9) |
V3ii—Yb—V4viii | 70.727 (9) | Ybxix—V4—V1viii | 155.914 (13) |
V3ii—Yb—V4v | 116.538 (10) | Ybxix—V4—V2 | 87.704 (12) |
V4iv—Yb—V4viii | 138.016 (9) | Ybxix—V4—V2xx | 87.416 (12) |
V4iv—Yb—V4v | 56.282 (9) | Ybxix—V4—V2xii | 66.771 (10) |
V4viii—Yb—V4v | 154.027 (9) | Ybxix—V4—V3xiv | 65.642 (9) |
Yb—V1—Ybi | 124.240 (11) | Ybxix—V4—V3viii | 155.007 (13) |
Yb—V1—Ybxv | 107.344 (10) | Ybxix—V4—V4xii | 64.635 (10) |
Yb—V1—Ybxvi | 107.019 (10) | V1xi—V4—V1viii | 119.621 (13) |
Yb—V1—V1i | 72.316 (10) | V1xi—V4—V2 | 63.890 (12) |
Yb—V1—V2ix | 154.052 (14) | V1xi—V4—V2xx | 112.644 (14) |
Yb—V1—V2i | 58.902 (8) | V1xi—V4—V2xii | 134.052 (14) |
Yb—V1—V3vii | 85.225 (12) | V1xi—V4—V3xiv | 47.363 (9) |
Yb—V1—V3 | 85.034 (12) | V1xi—V4—V3viii | 95.231 (12) |
Yb—V1—V3viii | 76.059 (11) | V1xi—V4—V4xii | 105.887 (13) |
Yb—V1—V4ix | 155.182 (14) | V1viii—V4—V2 | 116.288 (14) |
Yb—V1—V4viii | 59.660 (9) | V1viii—V4—V2xx | 68.540 (12) |
Ybi—V1—Ybxv | 91.327 (8) | V1viii—V4—V2xii | 101.027 (13) |
Ybi—V1—Ybxvi | 125.152 (10) | V1viii—V4—V3xiv | 101.198 (12) |
Ybi—V1—V1i | 51.925 (8) | V1viii—V4—V3viii | 48.400 (9) |
Ybi—V1—V2ix | 72.758 (9) | V1viii—V4—V4xii | 127.370 (14) |
Ybi—V1—V2i | 133.982 (12) | V2—V4—V2xx | 174.879 (17) |
Ybi—V1—V3vii | 68.324 (10) | V2—V4—V2xii | 117.755 (15) |
Ybi—V1—V3 | 113.920 (13) | V2—V4—V3xiv | 111.150 (14) |
Ybi—V1—V3viii | 72.600 (10) | V2—V4—V3viii | 68.040 (12) |
Ybi—V1—V4ix | 52.553 (8) | V2—V4—V4xii | 61.215 (12) |
Ybi—V1—V4viii | 176.099 (13) | V2xx—V4—V2xii | 61.457 (12) |
Ybxv—V1—Ybxvi | 90.920 (7) | V2xx—V4—V3xiv | 65.281 (11) |
Ybxv—V1—V1i | 108.093 (11) | V2xx—V4—V3viii | 116.629 (14) |
Ybxv—V1—V2ix | 90.215 (10) | V2xx—V4—V4xii | 117.760 (15) |
Ybxv—V1—V2i | 52.397 (7) | V2xii—V4—V3xiv | 107.699 (13) |
Ybxv—V1—V3vii | 49.046 (9) | V2xii—V4—V3viii | 129.290 (15) |
Ybxv—V1—V3 | 139.270 (13) | V2xii—V4—V4xii | 56.541 (11) |
Ybxv—V1—V3viii | 161.590 (13) | V3xiv—V4—V3viii | 116.510 (12) |
Ybxv—V1—V4ix | 51.936 (8) | V3xiv—V4—V4xii | 129.885 (14) |
Ybxv—V1—V4viii | 87.128 (9) | V3viii—V4—V4xii | 105.938 (13) |
Ybxvi—V1—V1i | 160.433 (13) | O1i—Yb—O2i | 94.02 (6) |
Ybxvi—V1—V2ix | 52.438 (8) | O1i—Yb—O3 | 71.48 (6) |
Ybxvi—V1—V2i | 87.086 (9) | O1i—Yb—O4i | 94.88 (6) |
Ybxvi—V1—V3vii | 139.751 (13) | O1i—Yb—O5viii | 69.23 (6) |
Ybxvi—V1—V3 | 48.559 (9) | O1i—Yb—O6viii | 140.11 (6) |
Ybxvi—V1—V3viii | 105.558 (12) | O1i—Yb—O7ii | 70.34 (6) |
Ybxvi—V1—V4ix | 88.550 (10) | O1i—Yb—O8viii | 140.11 (6) |
Ybxvi—V1—V4viii | 51.344 (8) | O2i—Yb—O3 | 137.30 (6) |
V1i—V1—V2ix | 120.973 (14) | O2i—Yb—O4i | 72.66 (6) |
V1i—V1—V2i | 107.968 (13) | O2i—Yb—O5viii | 142.06 (6) |
V1i—V1—V3vii | 59.673 (12) | O2i—Yb—O6viii | 75.36 (6) |
V1i—V1—V3 | 112.635 (15) | O2i—Yb—O7ii | 71.00 (6) |
V1i—V1—V3viii | 54.966 (11) | O2i—Yb—O8viii | 118.06 (6) |
V1i—V1—V4ix | 99.413 (13) | O3—Yb—O4i | 69.05 (6) |
V1i—V1—V4viii | 131.976 (14) | O3—Yb—O5viii | 71.03 (6) |
V2ix—V1—V2i | 126.261 (13) | O3—Yb—O6viii | 140.01 (6) |
V2ix—V1—V3vii | 120.609 (15) | O3—Yb—O7ii | 133.49 (6) |
V2ix—V1—V3 | 69.403 (12) | O3—Yb—O8viii | 68.85 (6) |
V2ix—V1—V3viii | 93.378 (13) | O4i—Yb—O5viii | 139.95 (6) |
V2ix—V1—V4ix | 50.013 (10) | O4i—Yb—O6viii | 117.18 (6) |
V2ix—V1—V4viii | 103.651 (12) | O4i—Yb—O7ii | 139.36 (6) |
V2i—V1—V3vii | 66.303 (11) | O4i—Yb—O8viii | 74.85 (6) |
V2i—V1—V3 | 112.085 (14) | O5viii—Yb—O6viii | 95.60 (6) |
V2i—V1—V3viii | 134.920 (15) | O5viii—Yb—O7ii | 71.30 (6) |
V2i—V1—V4ix | 104.062 (12) | O5viii—Yb—O8viii | 93.84 (6) |
V2i—V1—V4viii | 46.879 (9) | O6viii—Yb—O7ii | 69.85 (6) |
V3vii—V1—V3 | 169.198 (18) | O6viii—Yb—O8viii | 74.93 (6) |
V3vii—V1—V3viii | 114.639 (15) | O7ii—Yb—O8viii | 139.76 (6) |
V3vii—V1—V4ix | 70.718 (12) | O1ix—V1—O3 | 97.71 (7) |
V3vii—V1—V4viii | 113.026 (14) | O1ix—V1—O4 | 101.28 (7) |
V3—V1—V3viii | 58.229 (12) | O1ix—V1—O4i | 171.47 (7) |
V3—V1—V4ix | 119.416 (15) | O1ix—V1—O5ix | 99.55 (7) |
V3—V1—V4viii | 65.492 (11) | O1ix—V1—O8viii | 86.97 (7) |
V3viii—V1—V4ix | 119.044 (14) | O3—V1—O4 | 152.02 (7) |
V3viii—V1—V4viii | 109.466 (14) | O3—V1—O4i | 81.22 (7) |
V4ix—V1—V4viii | 124.020 (13) | O3—V1—O5ix | 97.69 (7) |
Ybxvii—V2—Ybi | 115.778 (10) | O3—V1—O8viii | 81.11 (7) |
Ybxvii—V2—Ybxviii | 134.404 (10) | O4—V1—O4i | 76.95 (7) |
Ybxvii—V2—Ybxix | 97.055 (8) | O4—V1—O5ix | 99.19 (7) |
Ybxvii—V2—V1xi | 127.316 (12) | O4—V1—O8viii | 79.59 (7) |
Ybxvii—V2—V1i | 69.196 (9) | O4i—V1—O5ix | 88.98 (7) |
Ybxvii—V2—V2x | 80.701 (11) | O4i—V1—O8viii | 84.50 (7) |
Ybxvii—V2—V3xi | 166.742 (13) | O5ix—V1—O8viii | 173.48 (7) |
Ybxvii—V2—V3viii | 51.126 (8) | O1—V2—O2xi | 96.73 (7) |
Ybxvii—V2—V4vii | 112.543 (13) | O1—V2—O3i | 88.83 (7) |
Ybxvii—V2—V4 | 63.160 (10) | O1—V2—O6xi | 95.81 (7) |
Ybxvii—V2—V4xii | 58.379 (9) | O1—V2—O6v | 176.93 (7) |
Ybi—V2—Ybxviii | 93.681 (8) | O1—V2—O7viii | 99.05 (7) |
Ybi—V2—Ybxix | 130.917 (10) | O2xi—V2—O3i | 173.58 (7) |
Ybi—V2—V1xi | 74.140 (10) | O2xi—V2—O6xi | 96.27 (7) |
Ybi—V2—V1i | 51.118 (8) | O2xi—V2—O6v | 81.44 (7) |
Ybi—V2—V2x | 125.402 (13) | O2xi—V2—O7viii | 85.40 (7) |
Ybi—V2—V3xi | 51.884 (8) | O3i—V2—O6xi | 86.29 (7) |
Ybi—V2—V3viii | 69.873 (9) | O3i—V2—O6v | 93.13 (7) |
Ybi—V2—V4vii | 63.863 (10) | O3i—V2—O7viii | 90.60 (7) |
Ybi—V2—V4 | 114.826 (13) | O6xi—V2—O6v | 81.97 (7) |
Ybi—V2—V4xii | 174.032 (14) | O6xi—V2—O7viii | 164.75 (7) |
Ybxviii—V2—Ybxix | 86.929 (7) | O6v—V2—O7viii | 83.30 (7) |
Ybxviii—V2—V1xi | 92.631 (10) | O1ix—V3—O4viii | 172.80 (7) |
Ybxviii—V2—V1i | 113.683 (10) | O1ix—V3—O5xiii | 83.01 (7) |
Ybxviii—V2—V2x | 53.704 (9) | O1ix—V3—O7 | 86.95 (7) |
Ybxviii—V2—V3xi | 56.852 (8) | O1ix—V3—O8 | 97.33 (7) |
Ybxviii—V2—V3viii | 159.386 (12) | O1ix—V3—O8viii | 87.64 (7) |
Ybxviii—V2—V4vii | 49.116 (9) | O4viii—V3—O5xiii | 89.82 (7) |
Ybxviii—V2—V4 | 135.744 (13) | O4viii—V3—O7 | 93.35 (7) |
Ybxviii—V2—V4xii | 91.751 (11) | O4viii—V3—O8 | 82.69 (7) |
Ybxix—V2—V1xi | 56.827 (8) | O4viii—V3—O8viii | 99.53 (7) |
Ybxix—V2—V1i | 159.385 (12) | O5xiii—V3—O7 | 87.35 (7) |
Ybxix—V2—V2x | 93.702 (11) | O5xiii—V3—O8 | 95.42 (7) |
Ybxix—V2—V3xi | 90.128 (9) | O5xiii—V3—O8viii | 170.64 (7) |
Ybxix—V2—V3viii | 113.113 (10) | O7—V3—O8 | 175.14 (7) |
Ybxix—V2—V4vii | 136.034 (13) | O7—V3—O8viii | 92.42 (7) |
Ybxix—V2—V4 | 48.826 (9) | O8—V3—O8viii | 85.48 (7) |
Ybxix—V2—V4xii | 51.847 (9) | O2xi—V4—O2vi | 81.27 (7) |
V1xi—V2—V1i | 118.733 (13) | O2xi—V4—O3viii | 175.33 (7) |
V1xi—V2—V2x | 138.357 (15) | O2xi—V4—O5 | 93.24 (7) |
V1xi—V2—V3xi | 49.081 (10) | O2xi—V4—O6xiv | 88.13 (7) |
V1xi—V2—V3viii | 94.545 (12) | O2xi—V4—O7viii | 86.66 (7) |
V1xi—V2—V4vii | 117.250 (15) | O2vi—V4—O3viii | 96.29 (7) |
V1xi—V2—V4 | 66.096 (12) | O2vi—V4—O5 | 171.68 (7) |
V1xi—V2—V4xii | 108.093 (14) | O2vi—V4—O6xiv | 81.93 (7) |
V1i—V2—V2x | 98.869 (13) | O2vi—V4—O7viii | 85.84 (7) |
V1i—V2—V3xi | 100.709 (12) | O3viii—V4—O5 | 88.73 (7) |
V1i—V2—V3viii | 46.335 (9) | O3viii—V4—O6xiv | 87.59 (7) |
V1i—V2—V4vii | 64.581 (11) | O3viii—V4—O7viii | 97.17 (7) |
V1i—V2—V4 | 110.570 (14) | O5—V4—O6xiv | 91.69 (7) |
V1i—V2—V4xii | 124.081 (14) | O5—V4—O7viii | 100.15 (7) |
V2x—V2—V3xi | 110.045 (13) | O6xiv—V4—O7viii | 167.31 (7) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) x+1/2, −y+3/2, z−1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) −x+3/2, y+1/2, −z+1/2; (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+1, −z+1; (ix) −x+1/2, y+1/2, −z+1/2; (x) −x+1, −y, −z; (xi) −x+1/2, y−1/2, −z+1/2; (xii) −x+1, −y, −z+1; (xiii) −x+1/2, y+1/2, −z+3/2; (xiv) −x+1/2, y−1/2, −z+3/2; (xv) x−1/2, −y+3/2, z−1/2; (xvi) x−1/2, −y+3/2, z+1/2; (xvii) −x+3/2, y−1/2, −z+1/2; (xviii) x−1/2, −y+1/2, z−1/2; (xix) x−1/2, −y+1/2, z+1/2; (xx) x, y, z+1. |
O8V4Yb | F(000) = 904 |
Mr = 504.8 | LeBail fit of synchrotrn powder data. |
Monoclinic, P21/n | Dx = 6.055 Mg m−3 |
Hall symbol: -P 2yabc | Synchrotron radiation, λ = 0.47686 Å |
a = 9.0616 (5) Å | Cell parameters from 378 reflections |
b = 10.6244 (8) Å | θ = 1–10° |
c = 5.7497 (4) Å | µ = 7.91 mm−1 |
β = 90.292 (5)° | T = 65 K |
V = 553.54 (6) Å3 | Irregular, black |
Z = 4 | 0.11 × 0.10 × 0.09 mm |
Huber 4-circle diffractometer | 5954 independent reflections |
Radiation source: Hasylab; D3 | 5290 reflections with I > 3σ(I) |
Detector resolution: Mar-CCD165 pixels mm-1 | Rint = 0.042 |
$πhi$–scans | θmax = 31.8°, θmin = 2° |
Absorption correction: numerical Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus) | h = −13→20 |
Tmin = 0.708, Tmax = 0.785 | k = −21→20 |
53984 measured reflections | l = −11→12 |
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
R[F2 > 2σ(F2)] = 0.033 | (Δ/σ)max = 0.039 |
wR(F2) = 0.044 | Δρmax = 4.52 e Å−3 |
S = 1.54 | Δρmin = −6.15 e Å−3 |
5954 reflections | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
119 parameters | Extinction coefficient: 2820 (386) |
x | y | z | Uiso*/Ueq | ||
Yb | 0.758248 (10) | 0.657870 (8) | 0.125778 (15) | 0.00205 (2) | |
V1 | 0.42671 (4) | 0.61890 (3) | 0.12340 (6) | 0.00237 (6) | |
V2 | 0.40827 (4) | 0.09702 (4) | 0.12460 (6) | 0.00248 (6) | |
V3 | 0.45615 (4) | 0.61065 (3) | 0.62585 (6) | 0.00247 (6) | |
V4 | 0.41815 (4) | 0.10580 (4) | 0.62549 (6) | 0.00258 (6) | |
O1 | 0.2028 (2) | 0.15835 (15) | 0.1131 (3) | 0.0041 (3) | |
O2 | 0.12029 (19) | 0.47284 (16) | 0.1170 (3) | 0.0036 (3) | |
O3 | 0.5400 (2) | 0.77656 (16) | 0.1209 (3) | 0.0039 (3) | |
O4 | 0.4141 (2) | 0.43118 (16) | 0.1163 (3) | 0.0038 (3) | |
O5 | 0.2079 (2) | 0.15885 (15) | 0.6388 (3) | 0.0048 (3) | |
O6 | 0.11361 (19) | 0.47468 (16) | 0.6347 (3) | 0.0039 (3) | |
O7 | 0.5132 (2) | 0.78858 (16) | 0.6259 (3) | 0.0044 (3) | |
O8 | 0.4147 (2) | 0.42697 (16) | 0.6327 (3) | 0.0040 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb | 0.00219 (4) | 0.00105 (4) | 0.00292 (4) | 0.000057 (19) | 0.00002 (2) | −0.000110 (18) |
V1 | 0.00251 (11) | 0.00103 (12) | 0.00357 (10) | −0.00019 (8) | 0.00011 (8) | −0.00012 (8) |
V2 | 0.00301 (12) | 0.00145 (12) | 0.00299 (10) | 0.00025 (8) | 0.00006 (9) | 0.00017 (8) |
V3 | 0.00321 (11) | 0.00104 (12) | 0.00317 (10) | 0.00004 (8) | −0.00015 (9) | 0.00018 (8) |
V4 | 0.00354 (12) | 0.00102 (12) | 0.00320 (10) | −0.00022 (8) | 0.00045 (9) | −0.00011 (8) |
O1 | 0.0039 (6) | 0.0036 (6) | 0.0047 (5) | 0.0006 (4) | 0.0004 (4) | 0.0012 (4) |
O2 | 0.0043 (5) | 0.0027 (5) | 0.0037 (5) | 0.0008 (4) | 0.0000 (4) | −0.0001 (4) |
O3 | 0.0053 (6) | 0.0026 (5) | 0.0037 (5) | 0.0008 (4) | −0.0002 (4) | 0.0001 (4) |
O4 | 0.0044 (5) | 0.0024 (5) | 0.0047 (5) | 0.0003 (4) | −0.0004 (4) | −0.0002 (4) |
O5 | 0.0052 (6) | 0.0033 (6) | 0.0058 (5) | 0.0002 (4) | −0.0011 (5) | −0.0005 (4) |
O6 | 0.0037 (5) | 0.0032 (6) | 0.0050 (5) | 0.0006 (4) | 0.0005 (4) | 0.0007 (4) |
O7 | 0.0058 (6) | 0.0018 (5) | 0.0055 (5) | −0.0001 (4) | −0.0008 (4) | −0.0003 (4) |
O8 | 0.0046 (5) | 0.0027 (6) | 0.0047 (5) | 0.0000 (4) | −0.0002 (4) | 0.0005 (4) |
Yb—V1 | 3.0326 (4) | Yb—O1i | 2.4141 (17) |
Yb—V1i | 3.6721 (4) | Yb—O2i | 2.2593 (17) |
Yb—V1ii | 4.0427 (4) | Yb—O3 | 2.3456 (18) |
Yb—V1iii | 4.0121 (4) | Yb—O4i | 2.2910 (17) |
Yb—V2iv | 3.4008 (4) | Yb—O5viii | 2.3904 (17) |
Yb—V2i | 3.3330 (4) | Yb—O6viii | 2.2831 (17) |
Yb—V2v | 4.1863 (4) | Yb—O7ii | 2.3789 (18) |
Yb—V2vi | 4.1675 (4) | Yb—O8viii | 2.2848 (17) |
Yb—V3vii | 3.9910 (4) | V1—O1ix | 1.9666 (19) |
Yb—V3 | 4.0116 (4) | V1—O3 | 1.9646 (18) |
Yb—V3viii | 3.7391 (4) | V1—O4 | 1.9981 (17) |
Yb—V3ii | 3.0437 (4) | V1—O4i | 2.0699 (18) |
Yb—V4iv | 3.3220 (4) | V1—O5ix | 1.980 (2) |
Yb—V4viii | 3.3058 (4) | V1—O8viii | 2.0613 (18) |
Yb—V4v | 3.1538 (4) | V2—O1 | 1.9731 (19) |
V1—V1i | 3.1906 (5) | V2—O2xi | 2.0046 (17) |
V1—V2ix | 3.3782 (5) | V2—O3i | 2.0059 (17) |
V1—V2i | 3.6606 (5) | V2—O6xi | 1.9869 (17) |
V1—V3vii | 2.8759 (5) | V2—O6v | 2.0112 (18) |
V1—V3 | 2.9012 (5) | V2—O7viii | 2.0081 (18) |
V1—V3viii | 3.0228 (5) | V3—O1ix | 2.0493 (19) |
V1—V4ix | 3.4332 (5) | V3—O4viii | 1.9393 (17) |
V1—V4viii | 3.5490 (5) | V3—O5xiii | 2.079 (2) |
V2—V2x | 3.0152 (5) | V3—O7 | 1.9597 (17) |
V2—V3xi | 3.5987 (5) | V3—O8 | 1.9877 (18) |
V2—V3viii | 3.6327 (5) | V3—O8viii | 1.9381 (18) |
V2—V4vii | 2.8731 (5) | V4—O2xi | 2.0139 (17) |
V2—V4 | 2.8824 (5) | V4—O2vi | 2.0141 (18) |
V2—V4xii | 3.0264 (5) | V4—O3viii | 1.9561 (17) |
V3—V3viii | 2.8750 (5) | V4—O5 | 1.989 (2) |
V3—V4xiii | 3.6878 (5) | V4—O6xiv | 1.9822 (17) |
V3—V4viii | 3.5325 (5) | V4—O7viii | 1.9350 (18) |
V4—V4xii | 3.0591 (5) | ||
V1—Yb—V1i | 55.856 (9) | V2x—V2—V3viii | 125.879 (15) |
V1—Yb—V1ii | 117.036 (9) | V2x—V2—V4vii | 61.802 (12) |
V1—Yb—V1iii | 117.209 (9) | V2x—V2—V4 | 118.850 (16) |
V1—Yb—V2iv | 148.657 (10) | V2x—V2—V4xii | 56.791 (12) |
V1—Yb—V2i | 70.027 (10) | V3xi—V2—V3viii | 115.560 (13) |
V1—Yb—V2v | 103.518 (9) | V3xi—V2—V4vii | 68.421 (12) |
V1—Yb—V2vi | 103.536 (9) | V3xi—V2—V4 | 114.978 (15) |
V1—Yb—V3vii | 45.872 (9) | V3xi—V2—V4xii | 133.811 (15) |
V1—Yb—V3 | 46.095 (9) | V3viii—V2—V4vii | 110.768 (14) |
V1—Yb—V3viii | 51.751 (9) | V3viii—V2—V4 | 64.468 (12) |
V1—Yb—V3ii | 133.945 (10) | V3viii—V2—V4xii | 104.316 (14) |
V1—Yb—V4iv | 148.425 (10) | V4vii—V2—V4 | 174.852 (18) |
V1—Yb—V4viii | 67.943 (10) | V4vii—V2—V4xii | 118.593 (16) |
V1—Yb—V4v | 109.503 (10) | V4—V2—V4xii | 62.304 (12) |
V1i—Yb—V1ii | 111.363 (8) | Yb—V3—Ybxx | 91.858 (8) |
V1i—Yb—V1iii | 157.347 (8) | Yb—V3—Ybviii | 136.632 (10) |
V1i—Yb—V2iv | 114.536 (9) | Yb—V3—Ybxvi | 107.641 (10) |
V1i—Yb—V2i | 104.621 (9) | Yb—V3—V1 | 48.862 (9) |
V1i—Yb—V2v | 50.401 (8) | Yb—V3—V1xx | 140.918 (15) |
V1i—Yb—V2vi | 83.961 (8) | Yb—V3—V1viii | 101.742 (12) |
V1i—Yb—V3vii | 46.234 (8) | Yb—V3—V2ix | 110.266 (11) |
V1i—Yb—V3 | 82.398 (8) | Yb—V3—V2viii | 86.877 (10) |
V1i—Yb—V3viii | 45.655 (8) | Yb—V3—V3viii | 63.263 (10) |
V1i—Yb—V3ii | 156.182 (9) | Yb—V3—V4xiii | 155.775 (12) |
V1i—Yb—V4iv | 95.688 (9) | Yb—V3—V4viii | 51.500 (8) |
V1i—Yb—V4viii | 123.800 (9) | Ybxx—V3—Ybviii | 100.175 (8) |
V1i—Yb—V4v | 59.821 (9) | Ybxx—V3—Ybxvi | 107.487 (10) |
V1ii—Yb—V1iii | 91.092 (8) | Ybxx—V3—V1 | 140.591 (15) |
V1ii—Yb—V2iv | 94.307 (8) | Ybxx—V3—V1xx | 49.191 (10) |
V1ii—Yb—V2i | 53.473 (8) | Ybxx—V3—V1viii | 61.315 (10) |
V1ii—Yb—V2v | 76.264 (7) | Ybxx—V3—V2ix | 156.621 (12) |
V1ii—Yb—V2vi | 138.581 (8) | Ybxx—V3—V2viii | 51.587 (8) |
V1ii—Yb—V3vii | 79.587 (8) | Ybxx—V3—V3viii | 105.961 (13) |
V1ii—Yb—V3 | 147.889 (8) | Ybxx—V3—V4xiii | 110.570 (11) |
V1ii—Yb—V3viii | 156.827 (8) | Ybxx—V3—V4viii | 88.051 (10) |
V1ii—Yb—V3ii | 45.689 (9) | Ybviii—V3—Ybxvi | 108.015 (11) |
V1ii—Yb—V4iv | 56.605 (8) | Ybviii—V3—V1 | 110.982 (13) |
V1ii—Yb—V4viii | 92.791 (8) | Ybviii—V3—V1xx | 65.942 (10) |
V1ii—Yb—V4v | 110.215 (9) | Ybviii—V3—V1viii | 51.985 (9) |
V1iii—Yb—V2iv | 58.490 (8) | Ybviii—V3—V2ix | 69.184 (9) |
V1iii—Yb—V2i | 90.913 (8) | Ybviii—V3—V2viii | 132.594 (12) |
V1iii—Yb—V2v | 138.552 (8) | Ybviii—V3—V3viii | 73.369 (11) |
V1iii—Yb—V2vi | 76.805 (7) | Ybviii—V3—V4xiii | 50.251 (8) |
V1iii—Yb—V3vii | 147.676 (8) | Ybviii—V3—V4viii | 167.473 (14) |
V1iii—Yb—V3 | 79.709 (8) | Ybxvi—V3—V1 | 85.657 (12) |
V1iii—Yb—V3viii | 112.036 (8) | Ybxvi—V3—V1xx | 85.289 (12) |
V1iii—Yb—V3ii | 45.592 (9) | Ybxvi—V3—V1viii | 149.027 (15) |
V1iii—Yb—V4iv | 94.306 (9) | Ybxvi—V3—V2ix | 59.537 (9) |
V1iii—Yb—V4viii | 54.939 (9) | Ybxvi—V3—V2viii | 60.483 (9) |
V1iii—Yb—V4v | 110.628 (9) | Ybxvi—V3—V3viii | 145.598 (16) |
V2iv—Yb—V2i | 136.900 (9) | Ybxvi—V3—V4xiii | 57.881 (9) |
V2iv—Yb—V2v | 82.910 (8) | Ybxvi—V3—V4viii | 60.137 (9) |
V2iv—Yb—V2vi | 45.573 (8) | V1—V3—V1xx | 168.844 (19) |
V2iv—Yb—V3vii | 152.230 (9) | V1—V3—V1viii | 121.978 (16) |
V2iv—Yb—V3 | 106.373 (8) | V1—V3—V2ix | 61.527 (12) |
V2iv—Yb—V3viii | 98.979 (9) | V1—V3—V2viii | 113.370 (14) |
V2iv—Yb—V3ii | 68.364 (10) | V1—V3—V3viii | 63.111 (13) |
V2iv—Yb—V4iv | 50.760 (9) | V1—V3—V4xiii | 107.844 (14) |
V2iv—Yb—V4viii | 113.102 (9) | V1—V3—V4viii | 66.113 (12) |
V2iv—Yb—V4v | 54.840 (9) | V1xx—V3—V1viii | 65.435 (13) |
V2i—Yb—V2v | 110.855 (8) | V1xx—V3—V2ix | 108.042 (15) |
V2i—Yb—V2vi | 161.868 (8) | V1xx—V3—V2viii | 67.289 (12) |
V2i—Yb—V3vii | 58.652 (8) | V1xx—V3—V3viii | 123.569 (16) |
V2i—Yb—V3 | 95.636 (9) | V1xx—V3—V4xiii | 61.616 (12) |
V2i—Yb—V3viii | 121.745 (9) | V1xx—V3—V4viii | 114.372 (14) |
V2i—Yb—V3ii | 68.541 (10) | V1viii—V3—V2ix | 118.532 (15) |
V2i—Yb—V4iv | 109.937 (9) | V1viii—V3—V2viii | 112.592 (14) |
V2i—Yb—V4viii | 51.286 (9) | V1viii—V3—V3viii | 58.868 (12) |
V2i—Yb—V4v | 154.255 (9) | V1viii—V3—V4xiii | 97.193 (13) |
V2v—Yb—V2vi | 86.987 (7) | V1viii—V3—V4viii | 140.354 (16) |
V2v—Yb—V3vii | 69.321 (8) | V2ix—V3—V2viii | 120.017 (13) |
V2v—Yb—V3 | 129.615 (8) | V2ix—V3—V3viii | 91.211 (14) |
V2v—Yb—V3viii | 86.590 (8) | V2ix—V3—V4xiii | 46.426 (9) |
V2v—Yb—V3ii | 109.232 (9) | V2ix—V3—V4viii | 99.658 (12) |
V2v—Yb—V4iv | 45.769 (8) | V2viii—V3—V3viii | 143.533 (16) |
V2v—Yb—V4viii | 161.542 (8) | V2viii—V3—V4xiii | 99.712 (12) |
V2v—Yb—V4v | 43.470 (8) | V2viii—V3—V4viii | 47.415 (9) |
V2vi—Yb—V3vii | 129.355 (8) | V3viii—V3—V4xiii | 116.159 (15) |
V2vi—Yb—V3 | 69.321 (8) | V3viii—V3—V4viii | 113.640 (15) |
V2vi—Yb—V3viii | 53.819 (8) | V4xiii—V3—V4viii | 118.012 (13) |
V2vi—Yb—V3ii | 109.563 (9) | Ybxvii—V4—Ybviii | 119.438 (11) |
V2vi—Yb—V4iv | 84.577 (8) | Ybxvii—V4—Ybxix | 123.692 (12) |
V2vi—Yb—V4viii | 110.645 (8) | Ybxvii—V4—V1xi | 127.995 (12) |
V2vi—Yb—V4v | 43.526 (8) | Ybxvii—V4—V1viii | 71.998 (10) |
V3vii—Yb—V3 | 91.858 (8) | Ybxvii—V4—V2 | 66.037 (11) |
V3vii—Yb—V3viii | 79.825 (8) | Ybxvii—V4—V2xx | 118.154 (14) |
V3vii—Yb—V3ii | 120.241 (9) | Ybxvii—V4—V2xii | 82.371 (12) |
V3vii—Yb—V4iv | 105.641 (9) | Ybxvii—V4—V3xiv | 169.087 (13) |
V3vii—Yb—V4viii | 94.340 (9) | Ybxvii—V4—V3viii | 52.616 (9) |
V3vii—Yb—V4v | 101.619 (9) | Ybxvii—V4—V4xii | 59.069 (10) |
V3—Yb—V3viii | 43.368 (8) | Ybviii—V4—Ybxix | 116.825 (12) |
V3—Yb—V3ii | 120.342 (9) | Ybviii—V4—V1xi | 73.048 (10) |
V3—Yb—V4iv | 153.894 (9) | Ybviii—V4—V1viii | 52.368 (8) |
V3—Yb—V4viii | 56.749 (8) | Ybviii—V4—V2 | 116.372 (14) |
V3—Yb—V4v | 101.799 (9) | Ybviii—V4—V2xx | 64.845 (11) |
V3viii—Yb—V3ii | 157.475 (9) | Ybviii—V4—V2xii | 125.921 (13) |
V3viii—Yb—V4iv | 120.036 (9) | Ybviii—V4—V3xiv | 51.243 (8) |
V3viii—Yb—V4viii | 99.263 (9) | Ybviii—V4—V3viii | 71.751 (10) |
V3viii—Yb—V4v | 64.031 (9) | Ybviii—V4—V4xii | 177.349 (15) |
V3ii—Yb—V4iv | 67.247 (10) | Ybxix—V4—V1xi | 67.608 (10) |
V3ii—Yb—V4viii | 70.877 (10) | Ybxix—V4—V1viii | 155.901 (13) |
V3ii—Yb—V4v | 116.552 (10) | Ybxix—V4—V2 | 87.701 (12) |
V4iv—Yb—V4viii | 138.114 (10) | Ybxix—V4—V2xx | 87.363 (12) |
V4iv—Yb—V4v | 56.308 (10) | Ybxix—V4—V2xii | 66.735 (11) |
V4viii—Yb—V4v | 153.900 (9) | Ybxix—V4—V3xiv | 65.718 (9) |
Yb—V1—Ybi | 124.144 (11) | Ybxix—V4—V3viii | 155.070 (13) |
Yb—V1—Ybxv | 107.208 (10) | Ybxix—V4—V4xii | 64.623 (10) |
Yb—V1—Ybxvi | 107.120 (10) | V1xi—V4—V1viii | 119.601 (14) |
Yb—V1—V1i | 72.272 (11) | V1xi—V4—V2 | 63.978 (12) |
Yb—V1—V2ix | 154.125 (14) | V1xi—V4—V2xx | 112.626 (15) |
Yb—V1—V2i | 58.840 (9) | V1xi—V4—V2xii | 134.152 (16) |
Yb—V1—V3vii | 84.937 (13) | V1xi—V4—V3xiv | 47.473 (10) |
Yb—V1—V3 | 85.043 (12) | V1xi—V4—V3viii | 95.142 (12) |
Yb—V1—V3viii | 76.264 (12) | V1xi—V4—V4xii | 106.006 (14) |
Yb—V1—V4ix | 155.093 (14) | V1viii—V4—V2 | 116.318 (15) |
Yb—V1—V4viii | 59.689 (9) | V1viii—V4—V2xx | 68.573 (12) |
Ybi—V1—Ybxv | 91.368 (8) | V1viii—V4—V2xii | 100.940 (14) |
Ybi—V1—Ybxvi | 125.119 (10) | V1viii—V4—V3xiv | 101.183 (12) |
Ybi—V1—V1i | 51.872 (9) | V1viii—V4—V3viii | 48.369 (10) |
Ybi—V1—V2ix | 72.716 (10) | V1viii—V4—V4xii | 127.265 (15) |
Ybi—V1—V2i | 134.011 (12) | V2—V4—V2xx | 174.852 (19) |
Ybi—V1—V3vii | 68.403 (11) | V2—V4—V2xii | 117.697 (16) |
Ybi—V1—V3 | 113.814 (13) | V2—V4—V3xiv | 111.339 (15) |
Ybi—V1—V3viii | 72.451 (10) | V2—V4—V3viii | 68.117 (12) |
Ybi—V1—V4ix | 52.571 (8) | V2—V4—V4xii | 61.158 (12) |
Ybi—V1—V4viii | 176.168 (14) | V2xx—V4—V2xii | 61.407 (12) |
Ybxv—V1—Ybxvi | 91.092 (8) | V2xx—V4—V3xiv | 65.153 (12) |
Ybxv—V1—V1i | 107.978 (11) | V2xx—V4—V3viii | 116.617 (15) |
Ybxv—V1—V2ix | 90.406 (10) | V2xx—V4—V4xii | 117.707 (16) |
Ybxv—V1—V2i | 52.377 (8) | V2xii—V4—V3xiv | 107.619 (14) |
Ybxv—V1—V3vii | 49.119 (9) | V2xii—V4—V3viii | 129.312 (16) |
Ybxv—V1—V3 | 139.527 (14) | V2xii—V4—V4xii | 56.539 (12) |
Ybxv—V1—V3viii | 161.524 (14) | V3xiv—V4—V3viii | 116.475 (13) |
Ybxv—V1—V4ix | 52.013 (8) | V3xiv—V4—V4xii | 129.965 (15) |
Ybxv—V1—V4viii | 87.216 (10) | V3viii—V4—V4xii | 105.997 (14) |
Ybxvi—V1—V1i | 160.368 (13) | O1i—Yb—O2i | 94.16 (6) |
Ybxvi—V1—V2ix | 52.449 (8) | O1i—Yb—O3 | 71.58 (6) |
Ybxvi—V1—V2i | 87.198 (9) | O1i—Yb—O4i | 95.13 (6) |
Ybxvi—V1—V3vii | 139.988 (14) | O1i—Yb—O5viii | 69.18 (6) |
Ybxvi—V1—V3 | 48.654 (9) | O1i—Yb—O6viii | 140.07 (6) |
Ybxvi—V1—V3viii | 105.396 (12) | O1i—Yb—O7ii | 70.25 (6) |
Ybxvi—V1—V4ix | 88.590 (10) | O1i—Yb—O8viii | 140.14 (6) |
Ybxvi—V1—V4viii | 51.397 (8) | O2i—Yb—O3 | 137.43 (6) |
V1i—V1—V2ix | 120.880 (14) | O2i—Yb—O4i | 72.75 (6) |
V1i—V1—V2i | 107.929 (13) | O2i—Yb—O5viii | 142.10 (6) |
V1i—V1—V3vii | 59.503 (12) | O2i—Yb—O6viii | 75.27 (6) |
V1i—V1—V3 | 112.493 (15) | O2i—Yb—O7ii | 70.79 (6) |
V1i—V1—V3viii | 55.062 (11) | O2i—Yb—O8viii | 118.10 (6) |
V1i—V1—V4ix | 99.356 (13) | O3—Yb—O4i | 69.07 (6) |
V1i—V1—V4viii | 131.961 (15) | O3—Yb—O5viii | 71.00 (6) |
V2ix—V1—V2i | 126.408 (14) | O3—Yb—O6viii | 139.91 (6) |
V2ix—V1—V3vii | 120.840 (16) | O3—Yb—O7ii | 133.64 (6) |
V2ix—V1—V3 | 69.456 (12) | O3—Yb—O8viii | 68.80 (6) |
V2ix—V1—V3viii | 93.096 (14) | O4i—Yb—O5viii | 139.96 (6) |
V2ix—V1—V4ix | 50.061 (10) | O4i—Yb—O6viii | 117.05 (6) |
V2ix—V1—V4viii | 103.719 (13) | O4i—Yb—O7ii | 139.26 (6) |
V2i—V1—V3vii | 66.266 (12) | O4i—Yb—O8viii | 74.86 (6) |
V2i—V1—V3 | 112.157 (14) | O5viii—Yb—O6viii | 95.59 (6) |
V2i—V1—V3viii | 135.060 (15) | O5viii—Yb—O7ii | 71.54 (6) |
V2i—V1—V4ix | 104.113 (13) | O5viii—Yb—O8viii | 93.64 (6) |
V2i—V1—V4viii | 46.939 (9) | O6viii—Yb—O7ii | 69.91 (6) |
V3vii—V1—V3 | 168.844 (19) | O6viii—Yb—O8viii | 74.83 (6) |
V3vii—V1—V3viii | 114.565 (16) | O7ii—Yb—O8viii | 139.76 (6) |
V3vii—V1—V4ix | 70.911 (13) | O1ix—V1—O3 | 97.92 (7) |
V3vii—V1—V4viii | 113.033 (14) | O1ix—V1—O4 | 101.19 (7) |
V3—V1—V3viii | 58.022 (12) | O1ix—V1—O4i | 171.35 (7) |
V3—V1—V4ix | 119.518 (15) | O1ix—V1—O5ix | 99.96 (8) |
V3—V1—V4viii | 65.518 (12) | O1ix—V1—O8viii | 86.73 (7) |
V3viii—V1—V4ix | 118.864 (15) | O3—V1—O4 | 151.74 (8) |
V3viii—V1—V4viii | 109.481 (14) | O3—V1—O4i | 81.28 (7) |
V4ix—V1—V4viii | 124.113 (14) | O3—V1—O5ix | 97.56 (7) |
Ybxvii—V2—Ybi | 115.665 (11) | O3—V1—O8viii | 81.03 (7) |
Ybxvii—V2—Ybxviii | 134.427 (11) | O4—V1—O4i | 76.70 (7) |
Ybxvii—V2—Ybxix | 97.090 (8) | O4—V1—O5ix | 99.40 (7) |
Ybxvii—V2—V1xi | 127.182 (12) | O4—V1—O8viii | 79.49 (7) |
Ybxvii—V2—V1i | 69.133 (9) | O4i—V1—O5ix | 88.68 (7) |
Ybxvii—V2—V2x | 80.771 (11) | O4i—V1—O8viii | 84.63 (7) |
Ybxvii—V2—V3xi | 166.609 (14) | O5ix—V1—O8viii | 173.30 (8) |
Ybxvii—V2—V3viii | 51.154 (8) | O1—V2—O2xi | 96.71 (7) |
Ybxvii—V2—V4vii | 112.534 (14) | O1—V2—O3i | 88.80 (7) |
Ybxvii—V2—V4 | 63.203 (11) | O1—V2—O6xi | 95.76 (7) |
Ybxvii—V2—V4xii | 58.426 (10) | O1—V2—O6v | 177.02 (7) |
Ybi—V2—Ybxviii | 93.732 (8) | O1—V2—O7viii | 98.92 (7) |
Ybi—V2—Ybxix | 130.909 (11) | O2xi—V2—O3i | 173.61 (7) |
Ybi—V2—V1xi | 74.079 (10) | O2xi—V2—O6xi | 96.47 (7) |
Ybi—V2—V1i | 51.133 (8) | O2xi—V2—O6v | 81.51 (7) |
Ybi—V2—V2x | 125.343 (13) | O2xi—V2—O7viii | 85.15 (7) |
Ybi—V2—V3xi | 51.921 (8) | O3i—V2—O6xi | 86.15 (7) |
Ybi—V2—V3viii | 69.760 (9) | O3i—V2—O6v | 93.11 (7) |
Ybi—V2—V4vii | 63.868 (11) | O3i—V2—O7viii | 90.82 (7) |
Ybi—V2—V4 | 114.707 (14) | O6xi—V2—O6v | 82.10 (7) |
Ybi—V2—V4xii | 173.958 (15) | O6xi—V2—O7viii | 164.94 (8) |
Ybxviii—V2—Ybxix | 86.987 (7) | O6v—V2—O7viii | 83.34 (7) |
Ybxviii—V2—V1xi | 92.822 (11) | O1ix—V3—O4viii | 172.18 (8) |
Ybxviii—V2—V1i | 113.587 (10) | O1ix—V3—O5xiii | 82.70 (8) |
Ybxviii—V2—V2x | 53.657 (9) | O1ix—V3—O7 | 86.90 (7) |
Ybxviii—V2—V3xi | 56.997 (8) | O1ix—V3—O8 | 97.11 (7) |
Ybxviii—V2—V3viii | 159.370 (12) | O1ix—V3—O8viii | 87.82 (7) |
Ybxviii—V2—V4vii | 49.110 (9) | O4viii—V3—O5xiii | 89.53 (8) |
Ybxviii—V2—V4 | 135.807 (14) | O4viii—V3—O7 | 93.57 (7) |
Ybxviii—V2—V4xii | 91.778 (11) | O4viii—V3—O8 | 82.75 (7) |
Ybxix—V2—V1xi | 56.882 (8) | O4viii—V3—O8viii | 99.95 (7) |
Ybxix—V2—V1i | 159.424 (12) | O5xiii—V3—O7 | 87.24 (7) |
Ybxix—V2—V2x | 93.817 (11) | O5xiii—V3—O8 | 95.35 (7) |
Ybxix—V2—V3xi | 90.053 (10) | O5xiii—V3—O8viii | 170.52 (8) |
Ybxix—V2—V3viii | 113.050 (10) | O7—V3—O8 | 175.47 (8) |
Ybxix—V2—V4vii | 136.088 (14) | O7—V3—O8viii | 92.22 (7) |
Ybxix—V2—V4 | 48.830 (9) | O8—V3—O8viii | 85.84 (7) |
Ybxix—V2—V4xii | 51.860 (9) | O2xi—V4—O2vi | 81.16 (7) |
V1xi—V2—V1i | 118.689 (14) | O2xi—V4—O3viii | 175.16 (7) |
V1xi—V2—V2x | 138.563 (16) | O2xi—V4—O5 | 93.62 (7) |
V1xi—V2—V3xi | 49.017 (10) | O2xi—V4—O6xiv | 87.91 (7) |
V1xi—V2—V3viii | 94.277 (12) | O2xi—V4—O7viii | 86.84 (7) |
V1xi—V2—V4vii | 117.310 (15) | O2vi—V4—O3viii | 96.32 (7) |
V1xi—V2—V4 | 65.961 (12) | O2vi—V4—O5 | 171.92 (7) |
V1xi—V2—V4xii | 108.140 (14) | O2vi—V4—O6xiv | 81.99 (7) |
V1i—V2—V2x | 98.703 (13) | O2vi—V4—O7viii | 85.78 (7) |
V1i—V2—V3xi | 100.765 (12) | O3viii—V4—O5 | 88.42 (8) |
V1i—V2—V3viii | 46.445 (9) | O3viii—V4—O6xiv | 87.64 (7) |
V1i—V2—V4vii | 64.488 (12) | O3viii—V4—O7viii | 97.13 (7) |
V1i—V2—V4 | 110.602 (14) | O5—V4—O6xiv | 91.71 (7) |
V1i—V2—V4xii | 124.030 (15) | O5—V4—O7viii | 100.15 (8) |
V2x—V2—V3xi | 110.145 (14) | O6xiv—V4—O7viii | 167.30 (8) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) x+1/2, −y+3/2, z−1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) −x+3/2, y+1/2, −z+1/2; (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+1, −z+1; (ix) −x+1/2, y+1/2, −z+1/2; (x) −x+1, −y, −z; (xi) −x+1/2, y−1/2, −z+1/2; (xii) −x+1, −y, −z+1; (xiii) −x+1/2, y+1/2, −z+3/2; (xiv) −x+1/2, y−1/2, −z+3/2; (xv) x−1/2, −y+3/2, z−1/2; (xvi) x−1/2, −y+3/2, z+1/2; (xvii) −x+3/2, y−1/2, −z+1/2; (xviii) x−1/2, −y+1/2, z−1/2; (xix) x−1/2, −y+1/2, z+1/2; (xx) x, y, z+1. |
O8V4Yb | F(000) = 904 |
Mr = 504.8 | LeBail fit of synchrotrn powder data. |
Monoclinic, P21/n | Dx = 6.037 Mg m−3 |
Hall symbol: -P 2yabc | Synchrotron radiation, λ = 0.47686 Å |
a = 9.0469 (4) Å | Cell parameters from 378 reflections |
b = 10.6159 (4) Å | θ = 1–10° |
c = 5.7814 (3) Å | µ = 7.88 mm−1 |
β = 90.065 (4)° | T = 50 K |
V = 555.25 (4) Å3 | Irregular, black |
Z = 4 | 0.11 × 0.10 × 0.09 mm |
Huber 4-circle diffractometer | 5965 independent reflections |
Radiation source: Hasylab; D3 | 4931 reflections with I > 3σ(I) |
Detector resolution: Mar-CCD165 pixels mm-1 | Rint = 0.052 |
$πhi$–scans | θmax = 31.8°, θmin = 2° |
Absorption correction: numerical Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus) | h = −13→19 |
Tmin = 0.708, Tmax = 0.786 | k = −21→20 |
60438 measured reflections | l = −12→12 |
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
R[F2 > 2σ(F2)] = 0.031 | (Δ/σ)max = 0.016 |
wR(F2) = 0.037 | Δρmax = 3.91 e Å−3 |
S = 1.52 | Δρmin = −5.71 e Å−3 |
5965 reflections | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
119 parameters | Extinction coefficient: 2953 (267) |
x | y | z | Uiso*/Ueq | ||
Yb | 0.756301 (10) | 0.655567 (9) | 0.128232 (16) | 0.00160 (2) | |
V1 | 0.42627 (4) | 0.61495 (4) | 0.13095 (7) | 0.00204 (7) | |
V2 | 0.40994 (4) | 0.09875 (4) | 0.12341 (7) | 0.00192 (7) | |
V3 | 0.45074 (4) | 0.61027 (4) | 0.62827 (7) | 0.00210 (7) | |
V4 | 0.41770 (4) | 0.10808 (4) | 0.62571 (7) | 0.00209 (7) | |
O1 | 0.20500 (19) | 0.16110 (16) | 0.1097 (3) | 0.0036 (3) | |
O2 | 0.11598 (18) | 0.47319 (16) | 0.1146 (3) | 0.0030 (3) | |
O3 | 0.53594 (19) | 0.77724 (16) | 0.1295 (3) | 0.0032 (3) | |
O4 | 0.41370 (19) | 0.42829 (17) | 0.1154 (3) | 0.0033 (3) | |
O5 | 0.2191 (2) | 0.15494 (16) | 0.6288 (3) | 0.0039 (3) | |
O6 | 0.11335 (19) | 0.47789 (16) | 0.6352 (3) | 0.0030 (3) | |
O7 | 0.50791 (18) | 0.79031 (16) | 0.6296 (3) | 0.0028 (3) | |
O8 | 0.41263 (18) | 0.42906 (17) | 0.6336 (3) | 0.0031 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb | 0.00174 (3) | 0.00049 (4) | 0.00257 (4) | 0.00002 (2) | 0.00002 (2) | 0.00006 (2) |
V1 | 0.00234 (10) | 0.00063 (12) | 0.00314 (12) | −0.00023 (8) | 0.00004 (8) | −0.00019 (9) |
V2 | 0.00235 (10) | 0.00057 (12) | 0.00285 (12) | 0.00040 (8) | 0.00005 (8) | −0.00002 (9) |
V3 | 0.00260 (10) | 0.00063 (12) | 0.00308 (12) | −0.00012 (8) | 0.00004 (8) | 0.00005 (9) |
V4 | 0.00265 (10) | 0.00053 (12) | 0.00310 (12) | 0.00032 (8) | 0.00030 (8) | 0.00001 (9) |
O1 | 0.0047 (5) | 0.0023 (6) | 0.0039 (6) | −0.0002 (4) | 0.0003 (4) | 0.0007 (4) |
O2 | 0.0039 (5) | 0.0007 (5) | 0.0044 (6) | 0.0005 (4) | 0.0003 (4) | −0.0004 (4) |
O3 | 0.0044 (5) | 0.0016 (6) | 0.0036 (6) | −0.0009 (4) | 0.0003 (4) | 0.0000 (4) |
O4 | 0.0040 (5) | 0.0025 (6) | 0.0035 (6) | −0.0003 (4) | 0.0002 (4) | −0.0005 (4) |
O5 | 0.0041 (5) | 0.0033 (6) | 0.0044 (6) | 0.0003 (4) | −0.0001 (4) | −0.0004 (4) |
O6 | 0.0042 (5) | 0.0011 (6) | 0.0038 (6) | 0.0001 (4) | −0.0004 (4) | −0.0001 (4) |
O7 | 0.0043 (5) | 0.0007 (5) | 0.0035 (6) | −0.0007 (4) | 0.0003 (4) | 0.0003 (4) |
O8 | 0.0034 (5) | 0.0019 (5) | 0.0040 (6) | 0.0000 (4) | 0.0003 (4) | −0.0002 (4) |
Yb—V1 | 3.0168 (4) | Yb—O1i | 2.4092 (18) |
Yb—V1i | 3.6352 (4) | Yb—O2i | 2.2757 (17) |
Yb—V1ii | 4.0712 (4) | Yb—O3 | 2.3755 (17) |
Yb—V1iii | 4.0910 (4) | Yb—O4i | 2.2664 (17) |
Yb—V2iv | 3.3960 (4) | Yb—O5viii | 2.4634 (18) |
Yb—V2i | 3.3430 (4) | Yb—O6viii | 2.2944 (17) |
Yb—V2v | 4.2128 (4) | Yb—O7ii | 2.3477 (17) |
Yb—V2vi | 4.1722 (4) | Yb—O8viii | 2.2460 (17) |
Yb—V3vii | 4.0261 (4) | V1—O1ix | 1.9754 (18) |
Yb—V3 | 4.0310 (4) | V1—O3 | 1.9882 (18) |
Yb—V3viii | 3.6688 (4) | V1—O4 | 1.9869 (18) |
Yb—V3ii | 3.0453 (4) | V1—O4i | 2.0832 (17) |
Yb—V4iv | 3.3343 (4) | V1—O5ix | 2.0395 (19) |
Yb—V4viii | 3.2867 (4) | V1—O8viii | 2.0474 (17) |
Yb—V4v | 3.1569 (4) | V2—O1 | 1.9702 (18) |
V1—V1i | 3.1676 (5) | V2—O2xi | 2.0313 (18) |
V1—V2ix | 3.3627 (5) | V2—O3i | 2.0281 (18) |
V1—V2i | 3.6879 (5) | V2—O6xi | 1.9813 (18) |
V1—V3vii | 2.9152 (5) | V2—O6v | 2.0132 (17) |
V1—V3 | 2.8839 (5) | V2—O7viii | 1.9941 (17) |
V1—V3viii | 2.9815 (5) | V3—O1ix | 2.0409 (18) |
V1—V4ix | 3.4468 (5) | V3—O4viii | 1.9658 (18) |
V1—V4viii | 3.5514 (5) | V3—O5xiii | 2.1358 (19) |
V2—V2x | 3.0154 (5) | V3—O7 | 1.9800 (17) |
V2—V3xi | 3.5733 (5) | V3—O8 | 1.9546 (18) |
V2—V3viii | 3.6315 (5) | V3—O8viii | 1.9995 (17) |
V2—V4vii | 2.8800 (5) | V4—O2xi | 2.0183 (18) |
V2—V4 | 2.9065 (5) | V4—O2vi | 1.9915 (17) |
V2—V4xii | 3.0579 (5) | V4—O3viii | 1.9128 (18) |
V3—V3viii | 2.9119 (5) | V4—O5 | 1.8649 (18) |
V3—V4xiii | 3.6256 (5) | V4—O6xiv | 1.9748 (18) |
V3—V4viii | 3.5379 (5) | V4—O7viii | 1.9486 (17) |
V4—V4xii | 3.0985 (5) | ||
V1—Yb—V1i | 55.946 (9) | V2x—V2—V3viii | 126.228 (14) |
V1—Yb—V1ii | 117.632 (9) | V2x—V2—V4vii | 62.438 (13) |
V1—Yb—V1iii | 116.911 (9) | V2x—V2—V4 | 118.950 (16) |
V1—Yb—V2iv | 148.422 (10) | V2x—V2—V4xii | 56.611 (12) |
V1—Yb—V2i | 70.671 (10) | V3xi—V2—V3viii | 116.631 (13) |
V1—Yb—V2v | 103.847 (9) | V3xi—V2—V4vii | 67.374 (12) |
V1—Yb—V2vi | 103.467 (9) | V3xi—V2—V4 | 115.260 (14) |
V1—Yb—V3vii | 46.204 (9) | V3xi—V2—V4xii | 133.050 (15) |
V1—Yb—V3 | 45.547 (9) | V3viii—V2—V4vii | 110.908 (15) |
V1—Yb—V3viii | 51.856 (9) | V3viii—V2—V4 | 64.409 (12) |
V1—Yb—V3ii | 133.500 (11) | V3viii—V2—V4xii | 104.281 (14) |
V1—Yb—V4iv | 148.937 (10) | V4vii—V2—V4 | 175.190 (18) |
V1—Yb—V4viii | 68.428 (10) | V4vii—V2—V4xii | 119.049 (16) |
V1—Yb—V4v | 109.337 (10) | V4—V2—V4xii | 62.536 (13) |
V1i—Yb—V1ii | 110.697 (8) | Yb—V3—Ybxx | 91.705 (8) |
V1i—Yb—V1iii | 158.988 (9) | Yb—V3—Ybviii | 135.870 (11) |
V1i—Yb—V2iv | 115.932 (9) | Yb—V3—Ybxvi | 107.408 (11) |
V1i—Yb—V2i | 103.473 (9) | Yb—V3—V1 | 48.307 (9) |
V1i—Yb—V2v | 50.080 (8) | Yb—V3—V1xx | 139.980 (14) |
V1i—Yb—V2vi | 85.555 (8) | Yb—V3—V1viii | 100.056 (12) |
V1i—Yb—V3vii | 45.449 (8) | Yb—V3—V2ix | 109.797 (11) |
V1i—Yb—V3 | 83.670 (8) | Yb—V3—V2viii | 86.792 (10) |
V1i—Yb—V3viii | 47.044 (9) | Yb—V3—V3viii | 61.316 (10) |
V1i—Yb—V3ii | 155.105 (10) | Yb—V3—V4xiii | 156.016 (13) |
V1i—Yb—V4iv | 95.782 (9) | Yb—V3—V4viii | 50.966 (8) |
V1i—Yb—V4viii | 124.325 (9) | Ybxx—V3—Ybviii | 99.603 (9) |
V1i—Yb—V4v | 60.505 (9) | Ybxx—V3—Ybxvi | 107.380 (11) |
V1ii—Yb—V1iii | 90.195 (8) | Ybxx—V3—V1 | 139.958 (14) |
V1ii—Yb—V2iv | 93.928 (8) | Ybxx—V3—V1xx | 48.328 (9) |
V1ii—Yb—V2i | 52.838 (8) | Ybxx—V3—V1viii | 60.329 (10) |
V1ii—Yb—V2v | 76.649 (8) | Ybxx—V3—V2ix | 157.274 (13) |
V1ii—Yb—V2vi | 138.242 (8) | Ybxx—V3—V2viii | 51.455 (8) |
V1ii—Yb—V3vii | 79.866 (8) | Ybxx—V3—V3viii | 104.559 (12) |
V1ii—Yb—V3 | 146.899 (8) | Ybxx—V3—V4xiii | 110.484 (11) |
V1ii—Yb—V3viii | 157.614 (9) | Ybxx—V3—V4viii | 88.052 (10) |
V1ii—Yb—V3ii | 45.006 (9) | Ybviii—V3—Ybxvi | 109.438 (11) |
V1ii—Yb—V4iv | 56.259 (9) | Ybviii—V3—V1 | 110.925 (13) |
V1ii—Yb—V4viii | 91.736 (9) | Ybviii—V3—V1xx | 65.872 (11) |
V1ii—Yb—V4v | 110.621 (9) | Ybviii—V3—V1viii | 52.729 (9) |
V1iii—Yb—V2iv | 58.136 (8) | Ybviii—V3—V2ix | 70.340 (9) |
V1iii—Yb—V2i | 90.752 (9) | Ybviii—V3—V2viii | 132.824 (13) |
V1iii—Yb—V2v | 138.569 (7) | Ybviii—V3—V3viii | 74.554 (11) |
V1iii—Yb—V2vi | 76.891 (8) | Ybviii—V3—V4xiii | 51.284 (8) |
V1iii—Yb—V3vii | 146.969 (8) | Ybviii—V3—V4viii | 168.954 (13) |
V1iii—Yb—V3 | 79.574 (8) | Ybxvi—V3—V1 | 86.685 (13) |
V1iii—Yb—V3viii | 112.155 (8) | Ybxvi—V3—V1xx | 86.655 (13) |
V1iii—Yb—V3ii | 45.348 (9) | Ybxvi—V3—V1viii | 150.452 (16) |
V1iii—Yb—V4iv | 94.067 (9) | Ybxvi—V3—V2ix | 60.047 (9) |
V1iii—Yb—V4viii | 54.390 (8) | Ybxvi—V3—V2viii | 60.390 (9) |
V1iii—Yb—V4v | 110.961 (9) | Ybxvi—V3—V3viii | 146.455 (16) |
V2iv—Yb—V2i | 136.212 (9) | Ybxvi—V3—V4xiii | 58.262 (9) |
V2iv—Yb—V2v | 83.408 (8) | Ybxvi—V3—V4viii | 60.309 (9) |
V2iv—Yb—V2vi | 45.542 (8) | V1—V3—V1xx | 171.024 (18) |
V2iv—Yb—V3vii | 153.096 (9) | V1—V3—V1viii | 120.497 (17) |
V2iv—Yb—V3 | 106.603 (9) | V1—V3—V2ix | 61.678 (12) |
V2iv—Yb—V3viii | 98.929 (9) | V1—V3—V2viii | 113.935 (15) |
V2iv—Yb—V3ii | 68.385 (10) | V1—V3—V3viii | 61.915 (13) |
V2iv—Yb—V4iv | 51.160 (9) | V1—V3—V4xiii | 108.763 (14) |
V2iv—Yb—V4viii | 112.251 (10) | V1—V3—V4viii | 66.242 (12) |
V2iv—Yb—V4v | 55.489 (9) | V1xx—V3—V1viii | 64.973 (13) |
V2i—Yb—V2v | 110.310 (9) | V1xx—V3—V2ix | 109.645 (14) |
V2i—Yb—V2vi | 162.327 (9) | V1xx—V3—V2viii | 67.550 (12) |
V2i—Yb—V3vii | 58.167 (9) | V1xx—V3—V3viii | 123.033 (17) |
V2i—Yb—V3 | 95.545 (9) | V1xx—V3—V4xiii | 62.493 (12) |
V2i—Yb—V3viii | 122.513 (9) | V1xx—V3—V4viii | 115.171 (15) |
V2i—Yb—V3ii | 67.837 (10) | V1viii—V3—V2ix | 120.187 (15) |
V2i—Yb—V4iv | 108.908 (9) | V1viii—V3—V2viii | 111.616 (14) |
V2i—Yb—V4viii | 51.487 (9) | V1viii—V3—V3viii | 58.582 (13) |
V2i—Yb—V4v | 153.837 (10) | V1viii—V3—V4xiii | 98.887 (14) |
V2v—Yb—V2vi | 87.177 (8) | V1viii—V3—V4viii | 138.243 (15) |
V2v—Yb—V3vii | 69.690 (7) | V2ix—V3—V2viii | 120.430 (13) |
V2v—Yb—V3 | 130.351 (8) | V2ix—V3—V3viii | 92.577 (14) |
V2v—Yb—V3viii | 86.666 (8) | V2ix—V3—V4xiii | 47.158 (10) |
V2v—Yb—V3ii | 109.399 (9) | V2ix—V3—V4viii | 99.636 (13) |
V2v—Yb—V4iv | 46.002 (8) | V2viii—V3—V3viii | 141.168 (15) |
V2v—Yb—V4viii | 161.376 (9) | V2viii—V3—V4xiii | 99.744 (12) |
V2v—Yb—V4v | 43.587 (9) | V2viii—V3—V4viii | 47.810 (10) |
V2vi—Yb—V3vii | 130.036 (8) | V3viii—V3—V4xiii | 118.474 (15) |
V2vi—Yb—V3 | 70.057 (7) | V3viii—V3—V4viii | 111.394 (15) |
V2vi—Yb—V3viii | 53.758 (8) | V4xiii—V3—V4viii | 118.563 (13) |
V2vi—Yb—V3ii | 109.644 (9) | Ybxvii—V4—Ybviii | 119.964 (12) |
V2vi—Yb—V4iv | 84.845 (8) | Ybxvii—V4—Ybxix | 123.056 (12) |
V2vi—Yb—V4viii | 110.877 (9) | Ybxvii—V4—V1xi | 127.288 (13) |
V2vi—Yb—V4v | 43.592 (9) | Ybxvii—V4—V1viii | 72.414 (10) |
V3vii—Yb—V3 | 91.705 (8) | Ybxvii—V4—V2 | 65.518 (10) |
V3vii—Yb—V3viii | 80.397 (8) | Ybxvii—V4—V2xx | 117.886 (14) |
V3vii—Yb—V3ii | 119.584 (9) | Ybxvii—V4—V2xii | 82.334 (11) |
V3vii—Yb—V4iv | 105.829 (9) | Ybxvii—V4—V3xiv | 170.338 (14) |
V3vii—Yb—V4viii | 94.192 (9) | Ybxvii—V4—V3viii | 52.505 (8) |
V3vii—Yb—V4v | 102.007 (9) | Ybxvii—V4—V4xii | 58.642 (10) |
V3—Yb—V3viii | 44.130 (8) | Ybviii—V4—Ybxix | 116.940 (11) |
V3—Yb—V3ii | 119.599 (9) | Ybviii—V4—V1xi | 74.783 (10) |
V3—Yb—V4iv | 154.878 (9) | Ybviii—V4—V1viii | 52.182 (8) |
V3—Yb—V4viii | 56.734 (9) | Ybviii—V4—V2 | 116.577 (14) |
V3—Yb—V4v | 102.424 (9) | Ybviii—V4—V2xx | 65.266 (11) |
V3viii—Yb—V3ii | 157.372 (10) | Ybviii—V4—V2xii | 125.950 (14) |
V3viii—Yb—V4iv | 120.322 (9) | Ybviii—V4—V3xiv | 51.997 (8) |
V3viii—Yb—V4viii | 100.147 (9) | Ybviii—V4—V3viii | 72.300 (10) |
V3viii—Yb—V4v | 63.650 (9) | Ybviii—V4—V4xii | 177.539 (16) |
V3ii—Yb—V4iv | 67.186 (10) | Ybxix—V4—V1xi | 66.633 (10) |
V3ii—Yb—V4viii | 69.741 (10) | Ybxix—V4—V1viii | 156.324 (14) |
V3ii—Yb—V4v | 117.163 (10) | Ybxix—V4—V2 | 87.923 (13) |
V4iv—Yb—V4viii | 136.914 (10) | Ybxix—V4—V2xx | 87.312 (13) |
V4iv—Yb—V4v | 56.944 (10) | Ybxix—V4—V2xii | 66.225 (11) |
V4viii—Yb—V4v | 154.236 (10) | Ybxix—V4—V3xiv | 65.066 (9) |
Yb—V1—Ybi | 124.054 (12) | Ybxix—V4—V3viii | 155.096 (14) |
Yb—V1—Ybxv | 106.403 (10) | Ybxix—V4—V4xii | 64.413 (10) |
Yb—V1—Ybxvi | 107.023 (10) | V1xi—V4—V1viii | 120.747 (14) |
Yb—V1—V1i | 71.956 (11) | V1xi—V4—V2 | 63.243 (12) |
Yb—V1—V2ix | 154.851 (15) | V1xi—V4—V2xx | 114.067 (15) |
Yb—V1—V2i | 58.803 (9) | V1xi—V4—V2xii | 132.769 (15) |
Yb—V1—V3vii | 85.467 (12) | V1xi—V4—V3xiv | 48.605 (10) |
Yb—V1—V3 | 86.147 (12) | V1xi—V4—V3viii | 96.166 (13) |
Yb—V1—V3viii | 75.415 (11) | V1xi—V4—V4xii | 104.350 (14) |
Yb—V1—V4ix | 153.361 (15) | V1viii—V4—V2 | 115.668 (15) |
Yb—V1—V4viii | 59.389 (9) | V1viii—V4—V2xx | 69.073 (13) |
Ybi—V1—Ybxv | 90.422 (8) | V1viii—V4—V2xii | 101.791 (14) |
Ybi—V1—Ybxvi | 126.300 (10) | V1viii—V4—V3xiv | 101.798 (13) |
Ybi—V1—V1i | 52.099 (9) | V1viii—V4—V3viii | 48.007 (10) |
Ybi—V1—V2ix | 73.913 (10) | V1viii—V4—V4xii | 127.443 (14) |
Ybi—V1—V2i | 132.011 (13) | V2—V4—V2xx | 175.190 (18) |
Ybi—V1—V3vii | 67.083 (11) | V2—V4—V2xii | 117.464 (16) |
Ybi—V1—V3 | 115.574 (14) | V2—V4—V3xiv | 111.776 (14) |
Ybi—V1—V3viii | 74.222 (11) | V2—V4—V3viii | 67.781 (12) |
Ybi—V1—V4ix | 52.862 (8) | V2—V4—V4xii | 61.126 (13) |
Ybi—V1—V4viii | 175.976 (13) | V2xx—V4—V2xii | 60.951 (13) |
Ybxv—V1—Ybxvi | 90.195 (8) | V2xx—V4—V3xiv | 65.468 (12) |
Ybxv—V1—V1i | 106.105 (12) | V2xx—V4—V3viii | 116.893 (15) |
Ybxv—V1—V2ix | 89.488 (10) | V2xx—V4—V4xii | 117.099 (16) |
Ybxv—V1—V2i | 51.452 (8) | V2xii—V4—V3xiv | 106.684 (14) |
Ybxv—V1—V3vii | 47.997 (9) | V2xii—V4—V3viii | 129.204 (15) |
Ybxv—V1—V3 | 138.324 (14) | V2xii—V4—V4xii | 56.338 (12) |
Ybxv—V1—V3viii | 161.628 (15) | V3xiv—V4—V3viii | 117.856 (13) |
Ybxv—V1—V4ix | 50.827 (8) | V3xiv—V4—V4xii | 129.148 (15) |
Ybxv—V1—V4viii | 86.406 (10) | V3viii—V4—V4xii | 105.610 (14) |
Ybxvi—V1—V1i | 163.380 (14) | O1i—Yb—O2i | 93.36 (6) |
Ybxvi—V1—V2ix | 52.399 (9) | O1i—Yb—O3 | 71.64 (6) |
Ybxvi—V1—V2i | 86.600 (10) | O1i—Yb—O4i | 93.52 (6) |
Ybxvi—V1—V3vii | 138.017 (14) | O1i—Yb—O5viii | 69.69 (6) |
Ybxvi—V1—V3 | 48.309 (10) | O1i—Yb—O6viii | 139.84 (6) |
Ybxvi—V1—V3viii | 106.931 (13) | O1i—Yb—O7ii | 70.29 (6) |
Ybxvi—V1—V4ix | 88.576 (10) | O1i—Yb—O8viii | 140.60 (6) |
Ybxvi—V1—V4viii | 51.326 (8) | O2i—Yb—O3 | 139.05 (6) |
V1i—V1—V2ix | 122.964 (15) | O2i—Yb—O4i | 74.06 (6) |
V1i—V1—V2i | 105.947 (14) | O2i—Yb—O5viii | 142.81 (6) |
V1i—V1—V3vii | 58.524 (12) | O2i—Yb—O6viii | 74.69 (6) |
V1i—V1—V3 | 115.556 (16) | O2i—Yb—O7ii | 69.88 (6) |
V1i—V1—V3viii | 56.503 (12) | O2i—Yb—O8viii | 118.98 (6) |
V1i—V1—V4ix | 99.116 (14) | O3—Yb—O4i | 69.31 (6) |
V1i—V1—V4viii | 131.287 (14) | O3—Yb—O5viii | 68.26 (6) |
V2ix—V1—V2i | 125.072 (14) | O3—Yb—O6viii | 139.87 (6) |
V2ix—V1—V3vii | 119.333 (15) | O3—Yb—O7ii | 132.89 (6) |
V2ix—V1—V3 | 69.299 (13) | O3—Yb—O8viii | 69.14 (6) |
V2ix—V1—V3viii | 95.686 (14) | O4i—Yb—O5viii | 137.39 (6) |
V2ix—V1—V4ix | 50.514 (10) | O4i—Yb—O6viii | 118.41 (6) |
V2ix—V1—V4viii | 103.553 (13) | O4i—Yb—O7ii | 139.07 (6) |
V2i—V1—V3vii | 65.515 (12) | O4i—Yb—O8viii | 76.24 (6) |
V2i—V1—V3 | 112.415 (15) | O5viii—Yb—O6viii | 96.79 (6) |
V2i—V1—V3viii | 134.199 (15) | O5viii—Yb—O7ii | 73.21 (6) |
V2i—V1—V4ix | 102.050 (13) | O5viii—Yb—O8viii | 92.19 (6) |
V2i—V1—V4viii | 46.838 (10) | O6viii—Yb—O7ii | 69.60 (6) |
V3vii—V1—V3 | 171.024 (18) | O6viii—Yb—O8viii | 74.76 (6) |
V3vii—V1—V3viii | 115.027 (16) | O7ii—Yb—O8viii | 139.14 (6) |
V3vii—V1—V4ix | 68.901 (12) | O1ix—V1—O3 | 95.08 (7) |
V3vii—V1—V4viii | 112.235 (15) | O1ix—V1—O4 | 104.32 (7) |
V3—V1—V3viii | 59.503 (13) | O1ix—V1—O4i | 172.92 (7) |
V3—V1—V4ix | 119.807 (15) | O1ix—V1—O5ix | 96.87 (7) |
V3—V1—V4viii | 65.751 (12) | O1ix—V1—O8viii | 88.85 (7) |
V3viii—V1—V4ix | 121.353 (15) | O3—V1—O4 | 153.20 (7) |
V3viii—V1—V4viii | 109.331 (14) | O3—V1—O4i | 80.85 (7) |
V4ix—V1—V4viii | 123.115 (14) | O3—V1—O5ix | 97.93 (7) |
Ybxvii—V2—Ybi | 116.409 (11) | O3—V1—O8viii | 81.12 (7) |
Ybxvii—V2—Ybxviii | 134.458 (11) | O4—V1—O4i | 77.82 (7) |
Ybxvii—V2—Ybxix | 96.592 (9) | O4—V1—O5ix | 97.90 (7) |
Ybxvii—V2—V1xi | 128.067 (13) | O4—V1—O8viii | 80.98 (7) |
Ybxvii—V2—V1i | 70.412 (9) | O4i—V1—O5ix | 89.45 (7) |
Ybxvii—V2—V2x | 80.959 (11) | O4i—V1—O8viii | 84.81 (7) |
Ybxvii—V2—V3xi | 167.728 (14) | O5ix—V1—O8viii | 174.26 (7) |
Ybxvii—V2—V3viii | 51.225 (8) | O1—V2—O2xi | 98.11 (7) |
Ybxvii—V2—V4vii | 113.180 (13) | O1—V2—O3i | 88.91 (7) |
Ybxvii—V2—V4 | 63.322 (10) | O1—V2—O6xi | 95.05 (7) |
Ybxvii—V2—V4xii | 58.286 (10) | O1—V2—O6v | 175.78 (7) |
Ybi—V2—Ybxviii | 93.260 (9) | O1—V2—O7viii | 100.39 (7) |
Ybi—V2—Ybxix | 130.756 (10) | O2xi—V2—O3i | 172.63 (7) |
Ybi—V2—V1xi | 74.763 (10) | O2xi—V2—O6xi | 97.21 (7) |
Ybi—V2—V1i | 50.526 (8) | O2xi—V2—O6v | 79.38 (7) |
Ybi—V2—V2x | 125.422 (14) | O2xi—V2—O7viii | 84.08 (7) |
Ybi—V2—V3xi | 52.116 (8) | O3i—V2—O6xi | 84.36 (7) |
Ybi—V2—V3viii | 70.378 (10) | O3i—V2—O6v | 93.75 (7) |
Ybi—V2—V4vii | 63.248 (11) | O3i—V2—O7viii | 92.46 (7) |
Ybi—V2—V4 | 114.746 (14) | O6xi—V2—O6v | 81.97 (7) |
Ybi—V2—V4xii | 174.564 (15) | O6xi—V2—O7viii | 164.18 (7) |
Ybxviii—V2—Ybxix | 87.177 (7) | O6v—V2—O7viii | 82.79 (7) |
Ybxviii—V2—V1xi | 91.266 (10) | O1ix—V3—O4viii | 173.23 (7) |
Ybxviii—V2—V1i | 113.164 (11) | O1ix—V3—O5xiii | 83.58 (7) |
Ybxviii—V2—V2x | 53.499 (9) | O1ix—V3—O7 | 85.84 (7) |
Ybxviii—V2—V3xi | 55.902 (8) | O1ix—V3—O8 | 98.58 (7) |
Ybxviii—V2—V3viii | 159.536 (13) | O1ix—V3—O8viii | 88.38 (7) |
Ybxviii—V2—V4vii | 49.095 (10) | O4viii—V3—O5xiii | 89.95 (7) |
Ybxviii—V2—V4 | 135.666 (14) | O4viii—V3—O7 | 92.03 (7) |
Ybxviii—V2—V4xii | 91.727 (12) | O4viii—V3—O8 | 83.87 (7) |
Ybxix—V2—V1xi | 56.007 (9) | O4viii—V3—O8viii | 98.14 (7) |
Ybxix—V2—V1i | 159.622 (13) | O5xiii—V3—O7 | 88.35 (7) |
Ybxix—V2—V2x | 93.507 (12) | O5xiii—V3—O8 | 94.66 (7) |
Ybxix—V2—V3xi | 90.126 (10) | O5xiii—V3—O8viii | 171.84 (7) |
Ybxix—V2—V3viii | 112.699 (11) | O7—V3—O8 | 174.89 (7) |
Ybxix—V2—V4vii | 136.271 (14) | O7—V3—O8viii | 92.45 (7) |
Ybxix—V2—V4 | 48.491 (9) | O8—V3—O8viii | 85.15 (7) |
Ybxix—V2—V4xii | 51.664 (9) | O2xi—V4—O2vi | 78.80 (7) |
V1xi—V2—V1i | 119.360 (14) | O2xi—V4—O3viii | 173.56 (7) |
V1xi—V2—V2x | 136.467 (16) | O2xi—V4—O5 | 92.93 (7) |
V1xi—V2—V3xi | 49.023 (10) | O2xi—V4—O6xiv | 87.93 (7) |
V1xi—V2—V3viii | 95.926 (13) | O2xi—V4—O7viii | 85.60 (7) |
V1xi—V2—V4vii | 116.314 (15) | O2vi—V4—O3viii | 95.90 (7) |
V1xi—V2—V4 | 66.243 (12) | O2vi—V4—O5 | 169.71 (8) |
V1xi—V2—V4xii | 107.302 (15) | O2vi—V4—O6xiv | 81.27 (7) |
V1i—V2—V2x | 99.597 (13) | O2vi—V4—O7viii | 84.47 (7) |
V1i—V2—V3xi | 100.169 (12) | O3viii—V4—O5 | 91.92 (8) |
V1i—V2—V3viii | 46.935 (10) | O3viii—V4—O6xiv | 87.65 (7) |
V1i—V2—V4vii | 64.089 (12) | O3viii—V4—O7viii | 97.61 (7) |
V1i—V2—V4 | 111.166 (15) | O5—V4—O6xiv | 92.41 (8) |
V1i—V2—V4xii | 125.167 (14) | O5—V4—O7viii | 101.14 (8) |
V2x—V2—V3xi | 108.954 (14) | O6xiv—V4—O7viii | 165.24 (7) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) x+1/2, −y+3/2, z−1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) −x+3/2, y+1/2, −z+1/2; (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+1, −z+1; (ix) −x+1/2, y+1/2, −z+1/2; (x) −x+1, −y, −z; (xi) −x+1/2, y−1/2, −z+1/2; (xii) −x+1, −y, −z+1; (xiii) −x+1/2, y+1/2, −z+3/2; (xiv) −x+1/2, y−1/2, −z+3/2; (xv) x−1/2, −y+3/2, z−1/2; (xvi) x−1/2, −y+3/2, z+1/2; (xvii) −x+3/2, y−1/2, −z+1/2; (xviii) x−1/2, −y+1/2, z−1/2; (xix) x−1/2, −y+1/2, z+1/2; (xx) x, y, z+1. |
O8V4Yb | F(000) = 904 |
Mr = 504.8 | LeBail fit of synchrotrOn powder data. |
Monoclinic, P21/n | Dx = 6.038 Mg m−3 |
Hall symbol: -P 2yabc | Synchrotron radiation, λ = 0.47686 Å |
a = 9.0461 (3) Å | Cell parameters from 378 reflections |
b = 10.6156 (4) Å | θ = 1–10° |
c = 5.7812 (3) Å | µ = 7.88 mm−1 |
β = 90.068 (3)° | T = 8 K |
V = 555.17 (4) Å3 | Irregular, black |
Z = 4 | 0.11 × 0.10 × 0.09 mm |
Huber 4-circle diffractometer | 5970 independent reflections |
Radiation source: Hasylab; D3 | 5254 reflections with I > 3σ(I) |
Detector resolution: Mar-CCD165 pixels mm-1 | Rint = 0.049 |
$πhi$–scans | θmax = 31.8°, θmin = 2° |
Absorption correction: numerical Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus) | h = −18→19 |
Tmin = 0.708, Tmax = 0.786 | k = −21→20 |
54380 measured reflections | l = −12→12 |
Refinement on F | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
R[F2 > 2σ(F2)] = 0.030 | (Δ/σ)max = −0.041 |
wR(F2) = 0.037 | Δρmax = 3.83 e Å−3 |
S = 1.47 | Δρmin = −5.91 e Å−3 |
5970 reflections | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
119 parameters | Extinction coefficient: 3215 (314) |
x | y | z | Uiso*/Ueq | ||
Yb | 0.756284 (9) | 0.655589 (7) | 0.128315 (13) | 0.001487 (19 | |
V1 | 0.42625 (4) | 0.61482 (3) | 0.13102 (5) | 0.00200 (6) | |
V2 | 0.40991 (4) | 0.09879 (3) | 0.12337 (5) | 0.00195 (6) | |
V3 | 0.45072 (4) | 0.61031 (3) | 0.62822 (5) | 0.00204 (6) | |
V4 | 0.41782 (4) | 0.10805 (3) | 0.62573 (5) | 0.00209 (6) | |
O1 | 0.20527 (19) | 0.16106 (14) | 0.1098 (3) | 0.0033 (3) | |
O2 | 0.11593 (18) | 0.47303 (14) | 0.1146 (2) | 0.0031 (3) | |
O3 | 0.53587 (18) | 0.77714 (15) | 0.1293 (2) | 0.0034 (3) | |
O4 | 0.41362 (18) | 0.42837 (14) | 0.1156 (2) | 0.0032 (3) | |
O5 | 0.2193 (2) | 0.15471 (13) | 0.6289 (3) | 0.0038 (3) | |
O6 | 0.11357 (18) | 0.47798 (14) | 0.6347 (2) | 0.0031 (3) | |
O7 | 0.50793 (18) | 0.78999 (14) | 0.6296 (2) | 0.0030 (3) | |
O8 | 0.41249 (18) | 0.42905 (14) | 0.6337 (2) | 0.0031 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb | 0.00160 (3) | 0.00067 (4) | 0.00219 (3) | 0.000012 (18) | −0.00003 (2) | 0.000073 (16) |
V1 | 0.00226 (10) | 0.00076 (11) | 0.00299 (9) | −0.00023 (7) | −0.00006 (8) | −0.00003 (7) |
V2 | 0.00233 (11) | 0.00080 (10) | 0.00272 (9) | 0.00030 (7) | −0.00003 (8) | 0.00010 (7) |
V3 | 0.00247 (11) | 0.00073 (10) | 0.00291 (9) | −0.00016 (7) | −0.00009 (8) | 0.00010 (7) |
V4 | 0.00255 (11) | 0.00081 (10) | 0.00290 (9) | 0.00020 (7) | 0.00033 (8) | −0.00006 (7) |
O1 | 0.0038 (5) | 0.0023 (5) | 0.0039 (4) | −0.0002 (4) | 0.0000 (4) | 0.0002 (3) |
O2 | 0.0038 (5) | 0.0018 (5) | 0.0036 (4) | −0.0001 (4) | 0.0000 (4) | 0.0000 (3) |
O3 | 0.0046 (5) | 0.0022 (5) | 0.0033 (4) | 0.0000 (4) | −0.0002 (4) | 0.0005 (3) |
O4 | 0.0041 (5) | 0.0020 (5) | 0.0034 (4) | 0.0001 (4) | 0.0001 (4) | −0.0002 (3) |
O5 | 0.0044 (5) | 0.0028 (5) | 0.0042 (4) | −0.0003 (4) | 0.0002 (4) | −0.0008 (3) |
O6 | 0.0037 (5) | 0.0017 (5) | 0.0039 (4) | 0.0003 (3) | 0.0003 (4) | 0.0001 (3) |
O7 | 0.0037 (5) | 0.0018 (5) | 0.0036 (4) | −0.0006 (4) | −0.0003 (4) | 0.0006 (3) |
O8 | 0.0034 (5) | 0.0021 (5) | 0.0038 (4) | −0.0002 (4) | 0.0001 (4) | 0.0003 (3) |
Yb—V1 | 3.0168 (4) | Yb—O1i | 2.4096 (15) |
Yb—V1i | 3.6344 (3) | Yb—O2i | 2.2751 (15) |
Yb—V1ii | 4.0719 (3) | Yb—O3 | 2.3750 (16) |
Yb—V1iii | 4.0914 (3) | Yb—O4i | 2.2670 (15) |
Yb—V2iv | 3.3960 (3) | Yb—O5viii | 2.4645 (15) |
Yb—V2i | 3.3423 (3) | Yb—O6viii | 2.2957 (15) |
Yb—V2v | 4.2136 (3) | Yb—O7ii | 2.3486 (16) |
Yb—V2vi | 4.1719 (3) | Yb—O8viii | 2.2443 (15) |
Yb—V3vii | 4.0264 (3) | V1—O1ix | 1.9761 (16) |
Yb—V3 | 4.0302 (3) | V1—O3 | 1.9881 (16) |
Yb—V3viii | 3.6690 (3) | V1—O4 | 1.9846 (16) |
Yb—V3ii | 3.0446 (3) | V1—O4i | 2.0846 (15) |
Yb—V4iv | 3.3336 (4) | V1—O5ix | 2.0411 (17) |
Yb—V4viii | 3.2869 (3) | V1—O8viii | 2.0472 (15) |
Yb—V4v | 3.1572 (3) | V2—O1 | 1.9672 (17) |
V1—V1i | 3.1658 (5) | V2—O2xi | 2.0329 (15) |
V1—V2ix | 3.3620 (5) | V2—O3i | 2.0276 (15) |
V1—V2i | 3.6889 (5) | V2—O6xi | 1.9785 (15) |
V1—V3vii | 2.9159 (4) | V2—O6v | 2.0155 (16) |
V1—V3 | 2.8830 (4) | V2—O7viii | 1.9959 (15) |
V1—V3viii | 2.9806 (5) | V3—O1ix | 2.0423 (16) |
V1—V4ix | 3.4475 (5) | V3—O4viii | 1.9658 (15) |
V1—V4viii | 3.5521 (5) | V3—O5xiii | 2.1365 (17) |
V2—V2x | 3.0160 (5) | V3—O7 | 1.9764 (15) |
V2—V3xi | 3.5723 (5) | V3—O8 | 1.9552 (16) |
V2—V3viii | 3.6310 (5) | V3—O8viii | 2.0006 (15) |
V2—V4vii | 2.8796 (4) | V4—O2xi | 2.0191 (15) |
V2—V4 | 2.9067 (4) | V4—O2vi | 1.9892 (16) |
V2—V4xii | 3.0575 (5) | V4—O3viii | 1.9144 (15) |
V3—V3viii | 2.9122 (5) | V4—O5 | 1.8630 (18) |
V3—V4xiii | 3.6263 (5) | V4—O6xiv | 1.9765 (15) |
V3—V4viii | 3.5373 (5) | V4—O7viii | 1.9504 (15) |
V4—V4xii | 3.0970 (5) | ||
V1—Yb—V1i | 55.921 (8) | V2x—V2—V3viii | 126.222 (14) |
V1—Yb—V1ii | 117.649 (8) | V2x—V2—V4vii | 62.426 (11) |
V1—Yb—V1iii | 116.927 (8) | V2x—V2—V4 | 118.909 (14) |
V1—Yb—V2iv | 148.411 (8) | V2x—V2—V4xii | 56.602 (10) |
V1—Yb—V2i | 70.704 (9) | V3xi—V2—V3viii | 116.641 (12) |
V1—Yb—V2v | 103.819 (8) | V3xi—V2—V4vii | 67.408 (11) |
V1—Yb—V2vi | 103.440 (8) | V3xi—V2—V4 | 115.280 (13) |
V1—Yb—V3vii | 46.214 (8) | V3xi—V2—V4xii | 133.035 (14) |
V1—Yb—V3 | 45.539 (8) | V3viii—V2—V4vii | 110.921 (13) |
V1—Yb—V3viii | 51.837 (8) | V3viii—V2—V4 | 64.401 (10) |
V1—Yb—V3ii | 133.537 (9) | V3viii—V2—V4xii | 104.275 (12) |
V1—Yb—V4iv | 148.900 (9) | V4vii—V2—V4 | 175.182 (16) |
V1—Yb—V4viii | 68.442 (9) | V4vii—V2—V4xii | 119.028 (14) |
V1—Yb—V4v | 109.323 (9) | V4—V2—V4xii | 62.506 (11) |
V1i—Yb—V1ii | 110.687 (7) | Yb—V3—Ybxx | 91.709 (7) |
V1i—Yb—V1iii | 159.019 (7) | Yb—V3—Ybviii | 135.861 (9) |
V1i—Yb—V2iv | 115.943 (8) | Yb—V3—Ybxvi | 107.427 (9) |
V1i—Yb—V2i | 103.455 (8) | Yb—V3—V1 | 48.317 (9) |
V1i—Yb—V2v | 50.065 (7) | Yb—V3—V1xx | 139.981 (13) |
V1i—Yb—V2vi | 85.560 (7) | Yb—V3—V1viii | 100.048 (11) |
V1i—Yb—V3vii | 45.436 (7) | Yb—V3—V2ix | 109.809 (9) |
V1i—Yb—V3 | 83.682 (7) | Yb—V3—V2viii | 86.793 (9) |
V1i—Yb—V3viii | 47.060 (7) | Yb—V3—V3viii | 61.329 (9) |
V1i—Yb—V3ii | 155.069 (8) | Yb—V3—V4xiii | 156.027 (11) |
V1i—Yb—V4iv | 95.756 (8) | Yb—V3—V4viii | 50.978 (7) |
V1i—Yb—V4viii | 124.312 (9) | Ybxx—V3—Ybviii | 99.592 (7) |
V1i—Yb—V4v | 60.526 (8) | Ybxx—V3—Ybxvi | 107.370 (9) |
V1ii—Yb—V1iii | 90.176 (7) | Ybxx—V3—V1 | 139.974 (13) |
V1ii—Yb—V2iv | 93.924 (8) | Ybxx—V3—V1xx | 48.323 (9) |
V1ii—Yb—V2i | 52.821 (8) | Ybxx—V3—V1viii | 60.314 (9) |
V1ii—Yb—V2v | 76.663 (7) | Ybxx—V3—V2ix | 157.260 (11) |
V1ii—Yb—V2vi | 138.249 (7) | Ybxx—V3—V2viii | 51.443 (7) |
V1ii—Yb—V3vii | 79.860 (7) | Ybxx—V3—V3viii | 104.549 (11) |
V1ii—Yb—V3 | 146.884 (7) | Ybxx—V3—V4xiii | 110.475 (9) |
V1ii—Yb—V3viii | 157.620 (7) | Ybxx—V3—V4viii | 88.067 (9) |
V1ii—Yb—V3ii | 44.982 (7) | Ybviii—V3—Ybxvi | 109.437 (10) |
V1ii—Yb—V4iv | 56.268 (7) | Ybviii—V3—V1 | 110.894 (12) |
V1ii—Yb—V4viii | 91.722 (7) | Ybviii—V3—V1xx | 65.846 (9) |
V1ii—Yb—V4v | 110.614 (8) | Ybviii—V3—V1viii | 52.731 (9) |
V1iii—Yb—V2iv | 58.149 (7) | Ybviii—V3—V2ix | 70.342 (8) |
V1iii—Yb—V2i | 90.743 (7) | Ybviii—V3—V2viii | 132.821 (10) |
V1iii—Yb—V2v | 138.581 (7) | Ybviii—V3—V3viii | 74.532 (10) |
V1iii—Yb—V2vi | 76.920 (7) | Ybviii—V3—V4xiii | 51.284 (7) |
V1iii—Yb—V3vii | 146.957 (7) | Ybviii—V3—V4viii | 168.951 (12) |
V1iii—Yb—V3 | 79.582 (7) | Ybxvi—V3—V1 | 86.730 (11) |
V1iii—Yb—V3viii | 112.168 (7) | Ybxvi—V3—V1xx | 86.668 (11) |
V1iii—Yb—V3ii | 45.355 (7) | Ybxvi—V3—V1viii | 150.433 (13) |
V1iii—Yb—V4iv | 94.091 (8) | Ybxvi—V3—V2ix | 60.049 (8) |
V1iii—Yb—V4viii | 54.396 (8) | Ybxvi—V3—V2viii | 60.399 (8) |
V1iii—Yb—V4v | 110.969 (8) | Ybxvi—V3—V3viii | 146.485 (13) |
V2iv—Yb—V2i | 136.206 (8) | Ybxvi—V3—V4xiii | 58.261 (8) |
V2iv—Yb—V2v | 83.410 (7) | Ybxvi—V3—V4viii | 60.309 (8) |
V2iv—Yb—V2vi | 45.554 (7) | V1—V3—V1xx | 171.041 (17) |
V2iv—Yb—V3vii | 153.086 (7) | V1—V3—V1viii | 120.470 (14) |
V2iv—Yb—V3 | 106.617 (7) | V1—V3—V2ix | 61.683 (11) |
V2iv—Yb—V3viii | 98.928 (8) | V1—V3—V2viii | 113.980 (13) |
V2iv—Yb—V3ii | 68.384 (9) | V1—V3—V3viii | 61.901 (11) |
V2iv—Yb—V4iv | 51.169 (8) | V1—V3—V4xiii | 108.765 (13) |
V2iv—Yb—V4viii | 112.270 (8) | V1—V3—V4viii | 66.273 (10) |
V2iv—Yb—V4v | 55.478 (8) | V1xx—V3—V1viii | 64.936 (11) |
V2i—Yb—V2v | 110.298 (7) | V1xx—V3—V2ix | 109.639 (13) |
V2i—Yb—V2vi | 162.347 (7) | V1xx—V3—V2viii | 67.572 (10) |
V2i—Yb—V3vii | 58.161 (7) | V1xx—V3—V3viii | 122.979 (14) |
V2i—Yb—V3 | 95.549 (8) | V1xx—V3—V4xiii | 62.493 (10) |
V2i—Yb—V3viii | 122.526 (8) | V1xx—V3—V4viii | 115.202 (13) |
V2i—Yb—V3ii | 67.833 (9) | V1viii—V3—V2ix | 120.197 (13) |
V2i—Yb—V4iv | 108.897 (8) | V1viii—V3—V2viii | 111.589 (12) |
V2i—Yb—V4viii | 51.485 (8) | V1viii—V3—V3viii | 58.569 (11) |
V2i—Yb—V4v | 153.821 (8) | V1viii—V3—V4xiii | 98.884 (12) |
V2v—Yb—V2vi | 87.168 (6) | V1viii—V3—V4viii | 138.245 (14) |
V2v—Yb—V3vii | 69.679 (7) | V2ix—V3—V2viii | 120.441 (12) |
V2v—Yb—V3 | 130.347 (7) | V2ix—V3—V3viii | 92.590 (12) |
V2v—Yb—V3viii | 86.654 (7) | V2ix—V3—V4xiii | 47.152 (8) |
V2v—Yb—V3ii | 109.388 (8) | V2ix—V3—V4viii | 99.628 (11) |
V2v—Yb—V4iv | 45.988 (7) | V2viii—V3—V3viii | 141.163 (14) |
V2v—Yb—V4viii | 161.359 (7) | V2viii—V3—V4xiii | 99.755 (11) |
V2v—Yb—V4v | 43.581 (7) | V2viii—V3—V4viii | 47.821 (8) |
V2vi—Yb—V3vii | 130.029 (7) | V3viii—V3—V4xiii | 118.459 (13) |
V2vi—Yb—V3 | 70.065 (7) | V3viii—V3—V4viii | 111.418 (13) |
V2vi—Yb—V3viii | 53.744 (7) | V4xiii—V3—V4viii | 118.561 (12) |
V2vi—Yb—V3ii | 109.663 (8) | Ybxvii—V4—Ybviii | 119.965 (10) |
V2vi—Yb—V4iv | 84.848 (7) | Ybxvii—V4—Ybxix | 123.082 (10) |
V2vi—Yb—V4viii | 110.899 (7) | Ybxvii—V4—V1xi | 127.272 (11) |
V2vi—Yb—V4v | 43.589 (7) | Ybxvii—V4—V1viii | 72.427 (9) |
V3vii—Yb—V3 | 91.709 (7) | Ybxvii—V4—V2 | 65.523 (9) |
V3vii—Yb—V3viii | 80.408 (7) | Ybxvii—V4—V2xx | 117.928 (13) |
V3vii—Yb—V3ii | 119.566 (8) | Ybxvii—V4—V2xii | 82.369 (11) |
V3vii—Yb—V4iv | 105.801 (7) | Ybxvii—V4—V3xiv | 170.312 (12) |
V3vii—Yb—V4viii | 94.179 (8) | Ybxvii—V4—V3viii | 52.503 (8) |
V3vii—Yb—V4v | 102.013 (8) | Ybxvii—V4—V4xii | 58.670 (9) |
V3—Yb—V3viii | 44.139 (7) | Ybviii—V4—Ybxix | 116.912 (11) |
V3—Yb—V3ii | 119.617 (8) | Ybviii—V4—V1xi | 74.782 (9) |
V3—Yb—V4iv | 154.891 (8) | Ybviii—V4—V1viii | 52.174 (8) |
V3—Yb—V4viii | 56.731 (8) | Ybviii—V4—V2 | 116.540 (12) |
V3—Yb—V4v | 102.446 (8) | Ybviii—V4—V2xx | 65.251 (9) |
V3viii—Yb—V3ii | 157.391 (8) | Ybviii—V4—V2xii | 125.958 (11) |
V3viii—Yb—V4iv | 120.302 (8) | Ybviii—V4—V3xiv | 51.977 (7) |
V3viii—Yb—V4viii | 100.154 (8) | Ybviii—V4—V3viii | 72.291 (9) |
V3viii—Yb—V4v | 63.660 (8) | Ybviii—V4—V4xii | 177.523 (13) |
V3ii—Yb—V4iv | 67.188 (9) | Ybxix—V4—V1xi | 66.602 (9) |
V3ii—Yb—V4viii | 69.763 (9) | Ybxix—V4—V1viii | 156.328 (11) |
V3ii—Yb—V4v | 117.139 (9) | Ybxix—V4—V2 | 87.931 (11) |
V4iv—Yb—V4viii | 136.938 (9) | Ybxix—V4—V2xx | 87.303 (11) |
V4iv—Yb—V4v | 56.918 (8) | Ybxix—V4—V2xii | 66.224 (9) |
V4viii—Yb—V4v | 154.257 (8) | Ybxix—V4—V3xiv | 65.057 (8) |
Yb—V1—Ybi | 124.079 (10) | Ybxix—V4—V3viii | 155.097 (12) |
Yb—V1—Ybxv | 106.376 (9) | Ybxix—V4—V4xii | 64.412 (9) |
Yb—V1—Ybxvi | 106.996 (9) | V1xi—V4—V1viii | 120.735 (12) |
Yb—V1—V1i | 71.962 (10) | V1xi—V4—V2 | 63.216 (11) |
Yb—V1—V2ix | 154.836 (12) | V1xi—V4—V2xx | 114.039 (14) |
Yb—V1—V2i | 58.776 (8) | V1xi—V4—V2xii | 132.738 (14) |
Yb—V1—V3vii | 85.463 (11) | V1xi—V4—V3xiv | 48.606 (9) |
Yb—V1—V3 | 86.144 (11) | V1xi—V4—V3viii | 96.170 (11) |
Yb—V1—V3viii | 75.433 (11) | V1xi—V4—V4xii | 104.303 (12) |
Yb—V1—V4ix | 153.347 (12) | V1viii—V4—V2 | 115.650 (13) |
Yb—V1—V4viii | 59.384 (8) | V1viii—V4—V2xx | 69.088 (11) |
Ybi—V1—Ybxv | 90.418 (7) | V1viii—V4—V2xii | 101.830 (12) |
Ybi—V1—Ybxvi | 126.318 (9) | V1viii—V4—V3xiv | 101.773 (11) |
Ybi—V1—V1i | 52.117 (8) | V1viii—V4—V3viii | 47.991 (8) |
Ybi—V1—V2ix | 73.948 (9) | V1viii—V4—V4xii | 127.494 (14) |
Ybi—V1—V2i | 131.994 (10) | V2—V4—V2xx | 175.182 (16) |
Ybi—V1—V3vii | 67.094 (9) | V2—V4—V2xii | 117.494 (14) |
Ybi—V1—V3 | 115.625 (12) | V2—V4—V3xiv | 111.753 (13) |
Ybi—V1—V3viii | 74.250 (10) | V2—V4—V3viii | 67.778 (10) |
Ybi—V1—V4ix | 52.871 (7) | V2—V4—V4xii | 61.133 (11) |
Ybi—V1—V4viii | 175.938 (12) | V2xx—V4—V2xii | 60.972 (11) |
Ybxv—V1—Ybxvi | 90.176 (7) | V2xx—V4—V3xiv | 65.440 (11) |
Ybxv—V1—V1i | 106.083 (10) | V2xx—V4—V3viii | 116.890 (13) |
Ybxv—V1—V2ix | 89.474 (9) | V2xx—V4—V4xii | 117.142 (14) |
Ybxv—V1—V2i | 51.441 (7) | V2xii—V4—V3xiv | 106.677 (12) |
Ybxv—V1—V3vii | 47.977 (8) | V2xii—V4—V3viii | 129.232 (14) |
Ybxv—V1—V3 | 138.281 (13) | V2xii—V4—V4xii | 56.361 (10) |
Ybxv—V1—V3viii | 161.650 (12) | V3xiv—V4—V3viii | 117.833 (12) |
Ybxv—V1—V4ix | 50.822 (7) | V3xiv—V4—V4xii | 129.135 (13) |
Ybxv—V1—V4viii | 86.363 (9) | V3viii—V4—V4xii | 105.630 (12) |
Ybxvi—V1—V1i | 163.428 (12) | O1i—Yb—O2i | 93.34 (5) |
Ybxvi—V1—V2ix | 52.382 (7) | O1i—Yb—O3 | 71.60 (5) |
Ybxvi—V1—V2i | 86.584 (8) | O1i—Yb—O4i | 93.46 (5) |
Ybxvi—V1—V3vii | 137.975 (12) | O1i—Yb—O5viii | 69.67 (5) |
Ybxvi—V1—V3 | 48.288 (8) | O1i—Yb—O6viii | 139.97 (6) |
Ybxvi—V1—V3viii | 106.936 (10) | O1i—Yb—O7ii | 70.28 (5) |
Ybxvi—V1—V4ix | 88.567 (9) | O1i—Yb—O8viii | 140.58 (6) |
Ybxvi—V1—V4viii | 51.306 (7) | O2i—Yb—O3 | 139.00 (5) |
V1i—V1—V2ix | 123.028 (13) | O2i—Yb—O4i | 74.02 (6) |
V1i—V1—V2i | 105.908 (12) | O2i—Yb—O5viii | 142.81 (6) |
V1i—V1—V3vii | 58.520 (10) | O2i—Yb—O6viii | 74.76 (5) |
V1i—V1—V3 | 115.620 (14) | O2i—Yb—O7ii | 69.90 (5) |
V1i—V1—V3viii | 56.544 (10) | O2i—Yb—O8viii | 118.99 (5) |
V1i—V1—V4ix | 99.132 (12) | O3—Yb—O4i | 69.30 (5) |
V1i—V1—V4viii | 131.285 (14) | O3—Yb—O5viii | 68.24 (5) |
V2ix—V1—V2i | 125.040 (12) | O3—Yb—O6viii | 139.82 (5) |
V2ix—V1—V3vii | 119.338 (14) | O3—Yb—O7ii | 132.85 (5) |
V2ix—V1—V3 | 69.298 (11) | O3—Yb—O8viii | 69.16 (5) |
V2ix—V1—V3viii | 95.716 (12) | O4i—Yb—O5viii | 137.37 (6) |
V2ix—V1—V4ix | 50.518 (9) | O4i—Yb—O6viii | 118.37 (5) |
V2ix—V1—V4viii | 103.513 (11) | O4i—Yb—O7ii | 139.03 (5) |
V2i—V1—V3vii | 65.486 (10) | O4i—Yb—O8viii | 76.28 (5) |
V2i—V1—V3 | 112.381 (13) | O5viii—Yb—O6viii | 96.85 (5) |
V2i—V1—V3viii | 134.190 (14) | O5viii—Yb—O7ii | 73.20 (5) |
V2i—V1—V4ix | 102.034 (11) | O5viii—Yb—O8viii | 92.21 (5) |
V2i—V1—V4viii | 46.820 (8) | O6viii—Yb—O7ii | 69.74 (5) |
V3vii—V1—V3 | 171.041 (17) | O6viii—Yb—O8viii | 74.66 (6) |
V3vii—V1—V3viii | 115.064 (14) | O7ii—Yb—O8viii | 139.17 (5) |
V3vii—V1—V4ix | 68.900 (11) | O1ix—V1—O3 | 95.12 (6) |
V3vii—V1—V4viii | 112.191 (13) | O1ix—V1—O4 | 104.31 (6) |
V3—V1—V3viii | 59.530 (11) | O1ix—V1—O4i | 173.00 (7) |
V3—V1—V4ix | 119.809 (14) | O1ix—V1—O5ix | 96.78 (7) |
V3—V1—V4viii | 65.736 (10) | O1ix—V1—O8viii | 88.96 (6) |
V3viii—V1—V4ix | 121.383 (14) | O3—V1—O4 | 153.24 (7) |
V3viii—V1—V4viii | 109.349 (13) | O3—V1—O4i | 80.81 (6) |
V4ix—V1—V4viii | 123.066 (12) | O3—V1—O5ix | 97.92 (6) |
Ybxvii—V2—Ybi | 116.410 (10) | O3—V1—O8viii | 81.11 (6) |
Ybxvii—V2—Ybxviii | 134.446 (10) | O4—V1—O4i | 77.87 (6) |
Ybxvii—V2—Ybxix | 96.590 (7) | O4—V1—O5ix | 97.86 (6) |
Ybxvii—V2—V1xi | 128.080 (11) | O4—V1—O8viii | 81.02 (6) |
Ybxvii—V2—V1i | 70.410 (8) | O4i—V1—O5ix | 89.45 (6) |
Ybxvii—V2—V2x | 80.945 (10) | O4i—V1—O8viii | 84.79 (6) |
Ybxvii—V2—V3xi | 167.731 (12) | O5ix—V1—O8viii | 174.24 (7) |
Ybxvii—V2—V3viii | 51.217 (7) | O1—V2—O2xi | 98.12 (6) |
Ybxvii—V2—V4vii | 113.149 (13) | O1—V2—O3i | 88.94 (6) |
Ybxvii—V2—V4 | 63.308 (9) | O1—V2—O6xi | 95.03 (7) |
Ybxvii—V2—V4xii | 58.298 (9) | O1—V2—O6v | 175.77 (6) |
Ybi—V2—Ybxviii | 93.268 (7) | O1—V2—O7viii | 100.33 (6) |
Ybi—V2—Ybxix | 130.770 (10) | O2xi—V2—O3i | 172.58 (7) |
Ybi—V2—V1xi | 74.797 (9) | O2xi—V2—O6xi | 97.12 (6) |
Ybi—V2—V1i | 50.521 (7) | O2xi—V2—O6v | 79.41 (6) |
Ybi—V2—V2x | 125.428 (11) | O2xi—V2—O7viii | 84.16 (6) |
Ybi—V2—V3xi | 52.118 (7) | O3i—V2—O6xi | 84.47 (6) |
Ybi—V2—V3viii | 70.396 (8) | O3i—V2—O6v | 93.68 (6) |
Ybi—V2—V4vii | 63.264 (9) | O3i—V2—O7viii | 92.35 (6) |
Ybi—V2—V4 | 114.779 (12) | O6xi—V2—O6v | 81.93 (6) |
Ybi—V2—V4xii | 174.576 (14) | O6xi—V2—O7viii | 164.26 (7) |
Ybxviii—V2—Ybxix | 87.168 (6) | O6v—V2—O7viii | 82.90 (6) |
Ybxviii—V2—V1xi | 91.248 (9) | O1ix—V3—O4viii | 173.26 (6) |
Ybxviii—V2—V1i | 113.180 (9) | O1ix—V3—O5xiii | 83.53 (6) |
Ybxviii—V2—V2x | 53.500 (8) | O1ix—V3—O7 | 85.92 (6) |
Ybxviii—V2—V3xi | 55.914 (7) | O1ix—V3—O8 | 98.53 (6) |
Ybxviii—V2—V3viii | 159.562 (10) | O1ix—V3—O8viii | 88.43 (6) |
Ybxviii—V2—V4vii | 49.108 (8) | O4viii—V3—O5xiii | 90.01 (6) |
Ybxviii—V2—V4 | 135.653 (12) | O4viii—V3—O7 | 92.02 (6) |
Ybxviii—V2—V4xii | 91.709 (10) | O4viii—V3—O8 | 83.84 (6) |
Ybxix—V2—V1xi | 55.986 (7) | O4viii—V3—O8viii | 98.07 (6) |
Ybxix—V2—V1i | 159.617 (10) | O5xiii—V3—O7 | 88.46 (6) |
Ybxix—V2—V2x | 93.491 (10) | O5xiii—V3—O8 | 94.53 (6) |
Ybxix—V2—V3xi | 90.129 (9) | O5xiii—V3—O8viii | 171.83 (6) |
Ybxix—V2—V3viii | 112.686 (9) | O7—V3—O8 | 174.88 (7) |
Ybxix—V2—V4vii | 136.274 (12) | O7—V3—O8viii | 92.43 (6) |
Ybxix—V2—V4 | 48.487 (8) | O8—V3—O8viii | 85.19 (6) |
Ybxix—V2—V4xii | 51.643 (8) | O2xi—V4—O2vi | 78.82 (6) |
V1xi—V2—V1i | 119.387 (12) | O2xi—V4—O3viii | 173.57 (7) |
V1xi—V2—V2x | 136.435 (14) | O2xi—V4—O5 | 92.90 (7) |
V1xi—V2—V3xi | 49.020 (9) | O2xi—V4—O6xiv | 87.97 (6) |
V1xi—V2—V3viii | 95.953 (11) | O2xi—V4—O7viii | 85.71 (6) |
V1xi—V2—V4vii | 116.346 (14) | O2vi—V4—O3viii | 95.92 (7) |
V1xi—V2—V4 | 66.266 (11) | O2vi—V4—O5 | 169.69 (7) |
V1xi—V2—V4xii | 107.264 (12) | O2vi—V4—O6xiv | 81.41 (6) |
V1i—V2—V2x | 99.610 (12) | O2vi—V4—O7viii | 84.52 (6) |
V1i—V2—V3xi | 100.172 (11) | O3viii—V4—O5 | 91.92 (7) |
V1i—V2—V3viii | 46.942 (8) | O3viii—V4—O6xiv | 87.58 (6) |
V1i—V2—V4vii | 64.092 (10) | O3viii—V4—O7viii | 97.54 (6) |
V1i—V2—V4 | 111.164 (13) | O5—V4—O6xiv | 92.27 (7) |
V1i—V2—V4xii | 125.184 (13) | O5—V4—O7viii | 101.11 (7) |
V2x—V2—V3xi | 108.967 (12) | O6xiv—V4—O7viii | 165.46 (7) |
Symmetry codes: (i) −x+1, −y+1, −z; (ii) x+1/2, −y+3/2, z−1/2; (iii) x+1/2, −y+3/2, z+1/2; (iv) −x+3/2, y+1/2, −z+1/2; (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+1, −z+1; (ix) −x+1/2, y+1/2, −z+1/2; (x) −x+1, −y, −z; (xi) −x+1/2, y−1/2, −z+1/2; (xii) −x+1, −y, −z+1; (xiii) −x+1/2, y+1/2, −z+3/2; (xiv) −x+1/2, y−1/2, −z+3/2; (xv) x−1/2, −y+3/2, z−1/2; (xvi) x−1/2, −y+3/2, z+1/2; (xvii) −x+3/2, y−1/2, −z+1/2; (xviii) x−1/2, −y+1/2, z−1/2; (xix) x−1/2, −y+1/2, z+1/2; (xx) x, y, z+1. |