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The structure of YbV4O8 is related to the CaFe2O4 structure type. VO6 octahedra form a three-dimensional framework with tunnels in which the Yb3+ ions are incorporated. Two different polymorphs α and β are known and differ mainly in the arrangement of the Yb ions within the framework. We studied the structure and magnetic properties of α-YbV4O8 as a function of temperature. At approximately 70 K α-YbV4O8 undergoes a first-order isosymmetrical phase transition (P21/nP21/n). While in the high-temperature α phase the three V3+ and one V4+ are disordered over the four symmetrically independent octahedral sites, in the low-temperature α′ phase complete charge ordering is observed. The transition is accompanied by a paramagnetic–paramagnetic anomaly in the magnetic susceptibility data which can be interpreted on the basis of spin-gap formation. The transition mechanism in the α polymorph is very similar to that observed earlier in the β polymorph at 185 K.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768108026153/sn5072sup1.cif
Contains datablocks global, I, II, III, IV, V, VI, VII

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072Isup2.hkl
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072IIsup3.hkl
Contains datablock II

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072IIIsup4.hkl
Contains datablock III

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072IVsup5.hkl
Contains datablock IV

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072Vsup6.hkl
Contains datablock V

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072VIsup7.hkl
Contains datablock VI

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108026153/sn5072VIIsup8.hkl
Contains datablock VII

Computing details top

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).

(I) top
Crystal data top
O8V4YbF(000) = 904
Mr = 504.8LeBail fit of synchrotrn powder data.
Monoclinic, P21/nDx = 6.040 Mg m3
Hall symbol: -P 2yabcSynchrotron radiation, λ = 0.47686 Å
a = 9.0677 (3) ÅCell parameters from 378 reflections
b = 10.6261 (4) Åθ = 1–10°
c = 5.7599 (2) ŵ = 7.89 mm1
β = 90.185 (2)°T = 250 K
V = 554.99 (3) Å3Irregular, black
Z = 40.11 × 0.10 × 0.09 mm
Data collection top
Huber 4-circle
diffractometer
6594 independent reflections
Radiation source: Hasylab; D35676 reflections with I > 3σ(I)
Detector resolution: Mar-CCD165 pixels mm-1Rint = 0.056
$πhi$–scansθmax = 32.6°, θmin = 2°
Absorption correction: numerical
Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus)
h = 2020
Tmin = 0.659, Tmax = 0.779k = 2318
51399 measured reflectionsl = 1213
Refinement top
Refinement on FWeighting 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) = 0.034Δρmax = 3.53 e Å3
S = 1.87Δρmin = 8.52; 2.47Å from V3 e Å3
6594 reflectionsExtinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
119 parametersExtinction coefficient: 3404 (230)
Special details top

Experimental. Hasylab, Beamline D3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Yb0.758088 (9)0.657623 (7)0.126532 (14)0.004173 (17
V10.42644 (4)0.61874 (3)0.12336 (6)0.00406 (5)
V20.40828 (4)0.09711 (3)0.12454 (6)0.00401 (5)
V30.45589 (4)0.61093 (3)0.62677 (6)0.00429 (5)
V40.41860 (4)0.10574 (3)0.62589 (6)0.00429 (5)
O10.20288 (18)0.15901 (13)0.1132 (3)0.0059 (3)
O20.12031 (17)0.47316 (13)0.1172 (3)0.0052 (3)
O30.53975 (17)0.77672 (13)0.1210 (3)0.0053 (3)
O40.41365 (17)0.43082 (13)0.1160 (3)0.0052 (3)
O50.20795 (19)0.15820 (13)0.6385 (3)0.0065 (3)
O60.11378 (17)0.47513 (13)0.6338 (3)0.0053 (3)
O70.51292 (18)0.78872 (13)0.6279 (3)0.0058 (3)
O80.41537 (17)0.42725 (13)0.6328 (3)0.0054 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Yb0.00300 (3)0.00477 (3)0.00475 (3)0.000171 (18)0.000072 (19)0.000154 (17)
V10.00344 (10)0.00462 (9)0.00414 (10)0.00024 (7)0.00000 (8)0.00017 (7)
V20.00375 (10)0.00461 (8)0.00367 (9)0.00034 (7)0.00003 (8)0.00017 (7)
V30.00423 (10)0.00463 (9)0.00401 (10)0.00007 (7)0.00003 (8)0.00023 (7)
V40.00443 (10)0.00435 (8)0.00411 (10)0.00014 (7)0.00068 (8)0.00021 (7)
O10.0043 (5)0.0079 (4)0.0055 (5)0.0003 (3)0.0006 (4)0.0003 (3)
O20.0043 (5)0.0061 (4)0.0052 (5)0.0005 (3)0.0002 (4)0.0004 (3)
O30.0057 (5)0.0051 (4)0.0049 (4)0.0008 (3)0.0000 (4)0.0001 (3)
O40.0044 (5)0.0064 (4)0.0048 (5)0.0000 (3)0.0002 (4)0.0002 (3)
O50.0056 (5)0.0085 (5)0.0053 (5)0.0005 (4)0.0003 (4)0.0008 (3)
O60.0046 (5)0.0056 (4)0.0057 (5)0.0004 (3)0.0001 (4)0.0010 (3)
O70.0063 (5)0.0059 (4)0.0053 (5)0.0006 (4)0.0000 (4)0.0002 (3)
O80.0050 (5)0.0064 (4)0.0048 (4)0.0001 (3)0.0003 (4)0.0003 (3)
Geometric parameters (Å, º) top
Yb—V13.0356 (3)Yb—O1i2.4150 (14)
Yb—V1i3.6715 (3)Yb—O2i2.2644 (14)
Yb—V1ii4.0504 (3)Yb—O32.3499 (15)
Yb—V1iii4.0173 (3)Yb—O4i2.2904 (15)
Yb—V2iv3.4049 (3)Yb—O5viii2.3988 (15)
Yb—V2i3.3385 (3)Yb—O6viii2.2882 (15)
Yb—V2v4.1914 (3)Yb—O7ii2.3801 (16)
Yb—V2vi4.1695 (3)Yb—O8viii2.2853 (15)
Yb—V3vii3.9988 (3)V1—O1ix1.9676 (16)
Yb—V34.0135 (3)V1—O31.9683 (15)
Yb—V3viii3.7343 (3)V1—O42.0007 (14)
Yb—V3ii3.0440 (3)V1—O4i2.0722 (15)
Yb—V4iv3.3227 (3)V1—O5ix1.9807 (17)
Yb—V4viii3.3072 (3)V1—O8viii2.0629 (15)
Yb—V4v3.1544 (3)V2—O11.9761 (16)
V1—V1i3.1905 (4)V2—O2xi2.0044 (15)
V1—V2ix3.3766 (5)V2—O3i2.0058 (15)
V1—V2i3.6627 (4)V2—O6xi1.9828 (15)
V1—V3vii2.8748 (5)V2—O6v2.0159 (16)
V1—V32.9122 (5)V2—O7viii2.0022 (15)
V1—V3viii3.0258 (4)V3—O1ix2.0572 (16)
V1—V4ix3.4409 (5)V3—O4viii1.9441 (15)
V1—V4viii3.5523 (4)V3—O5xiii2.0738 (17)
V2—V2x3.0166 (4)V3—O71.9588 (14)
V2—V3xi3.6042 (5)V3—O81.9863 (14)
V2—V3viii3.6308 (4)V3—O8viii1.9428 (15)
V2—V4vii2.8755 (5)V4—O2xi2.0165 (15)
V2—V42.8904 (5)V4—O2vi2.0129 (15)
V2—V4xii3.0270 (4)V4—O3viii1.9558 (15)
V3—V3viii2.8875 (4)V4—O51.9913 (17)
V3—V4xiii3.6872 (5)V4—O6xiv1.9828 (15)
V3—V4viii3.5339 (4)V4—O7viii1.9458 (15)
V4—V4xii3.0572 (4)
V1—Yb—V1i55.843 (8)V2x—V2—V3viii125.828 (13)
V1—Yb—V1ii116.822 (8)V2x—V2—V4vii61.771 (11)
V1—Yb—V1iii117.321 (8)V2x—V2—V4118.734 (14)
V1—Yb—V2iv148.837 (8)V2x—V2—V4xii56.821 (10)
V1—Yb—V2i69.964 (8)V3xi—V2—V3viii115.648 (11)
V1—Yb—V2v103.418 (8)V3xi—V2—V4vii68.301 (11)
V1—Yb—V2vi103.719 (8)V3xi—V2—V4115.253 (13)
V1—Yb—V3vii45.750 (8)V3xi—V2—V4xii133.852 (13)
V1—Yb—V346.276 (8)V3viii—V2—V4vii110.777 (12)
V1—Yb—V3viii51.852 (8)V3viii—V2—V464.462 (10)
V1—Yb—V3ii133.925 (9)V3viii—V2—V4xii104.263 (12)
V1—Yb—V4iv148.243 (9)V4vii—V2—V4174.790 (15)
V1—Yb—V4viii67.963 (8)V4vii—V2—V4xii118.592 (14)
V1—Yb—V4v109.654 (9)V4—V2—V4xii62.165 (11)
V1i—Yb—V1ii111.168 (7)Yb—V3—Ybxx91.925 (7)
V1i—Yb—V1iii157.527 (7)Yb—V3—Ybviii136.423 (9)
V1i—Yb—V2iv114.659 (7)Yb—V3—Ybxvi107.665 (9)
V1i—Yb—V2i104.469 (8)Yb—V3—V148.875 (8)
V1i—Yb—V2v50.333 (7)Yb—V3—V1xx140.947 (13)
V1i—Yb—V2vi84.138 (7)Yb—V3—V1viii101.576 (11)
V1i—Yb—V3vii46.224 (7)Yb—V3—V2ix110.089 (10)
V1i—Yb—V382.600 (7)Yb—V3—V2viii86.908 (9)
V1i—Yb—V3viii45.674 (7)Yb—V3—V3viii63.060 (9)
V1i—Yb—V3ii156.095 (8)Yb—V3—V4xiii155.647 (11)
V1i—Yb—V4iv95.589 (8)Yb—V3—V4viii51.500 (7)
V1i—Yb—V4viii123.806 (8)Ybxx—V3—Ybviii100.172 (8)
V1i—Yb—V4v59.974 (8)Ybxx—V3—Ybxvi107.606 (9)
V1ii—Yb—V1iii91.113 (7)Ybxx—V3—V1140.682 (13)
V1ii—Yb—V2iv94.341 (7)Ybxx—V3—V1xx49.144 (8)
V1ii—Yb—V2i53.334 (7)Ybxx—V3—V1viii61.178 (8)
V1ii—Yb—V2v76.187 (6)Ybxx—V3—V2ix156.778 (11)
V1ii—Yb—V2vi138.602 (7)Ybxx—V3—V2viii51.623 (7)
V1ii—Yb—V3vii79.438 (7)Ybxx—V3—V3viii105.967 (11)
V1ii—Yb—V3147.779 (7)Ybxx—V3—V4xiii110.703 (10)
V1ii—Yb—V3viii156.651 (7)Ybxx—V3—V4viii88.273 (9)
V1ii—Yb—V3ii45.801 (8)Ybviii—V3—Ybxvi108.102 (10)
V1ii—Yb—V4iv56.574 (7)Ybviii—V3—V1110.766 (11)
V1ii—Yb—V4viii92.675 (7)Ybviii—V3—V1xx66.010 (9)
V1ii—Yb—V4v110.164 (8)Ybviii—V3—V1viii52.088 (8)
V1iii—Yb—V2iv58.445 (7)Ybviii—V3—V2ix69.219 (8)
V1iii—Yb—V2i90.969 (7)Ybviii—V3—V2viii132.755 (11)
V1iii—Yb—V2v138.579 (7)Ybviii—V3—V3viii73.363 (9)
V1iii—Yb—V2vi76.788 (6)Ybviii—V3—V4xiii50.301 (6)
V1iii—Yb—V3vii147.579 (7)Ybviii—V3—V4viii167.465 (12)
V1iii—Yb—V379.659 (7)Ybxvi—V3—V185.663 (10)
V1iii—Yb—V3viii112.191 (7)Ybxvi—V3—V1xx85.439 (11)
V1iii—Yb—V3ii45.507 (8)Ybxvi—V3—V1viii149.176 (14)
V1iii—Yb—V4iv94.362 (8)Ybxvi—V3—V2ix59.578 (8)
V1iii—Yb—V4viii55.012 (8)Ybxvi—V3—V2viii60.589 (8)
V1iii—Yb—V4v110.572 (8)Ybxvi—V3—V3viii145.448 (14)
V2iv—Yb—V2i136.842 (8)Ybxvi—V3—V4xiii57.916 (7)
V2iv—Yb—V2v83.010 (7)Ybxvi—V3—V4viii60.133 (8)
V2iv—Yb—V2vi45.566 (7)V1—V3—V1xx168.906 (16)
V2iv—Yb—V3vii152.320 (7)V1—V3—V1viii121.846 (13)
V2iv—Yb—V3106.386 (8)V1—V3—V2ix61.335 (10)
V2iv—Yb—V3viii99.062 (8)V1—V3—V2viii113.476 (12)
V2iv—Yb—V3ii68.263 (8)V1—V3—V3viii62.894 (11)
V2iv—Yb—V4iv50.870 (8)V1—V3—V4xiii107.670 (13)
V2iv—Yb—V4viii113.141 (8)V1—V3—V4viii66.065 (10)
V2iv—Yb—V4v54.804 (8)V1xx—V3—V1viii65.405 (11)
V2i—Yb—V2v110.653 (7)V1xx—V3—V2ix108.230 (13)
V2i—Yb—V2vi161.981 (7)V1xx—V3—V2viii67.373 (10)
V2i—Yb—V3vii58.493 (7)V1xx—V3—V3viii123.613 (14)
V2i—Yb—V395.675 (7)V1xx—V3—V4xiii61.794 (11)
V2i—Yb—V3viii121.787 (8)V1xx—V3—V4viii114.595 (12)
V2i—Yb—V3ii68.586 (8)V1viii—V3—V2ix118.646 (12)
V2i—Yb—V4iv109.760 (8)V1viii—V3—V2viii112.511 (12)
V2i—Yb—V4viii51.273 (8)V1viii—V3—V3viii58.952 (11)
V2i—Yb—V4v154.149 (8)V1viii—V3—V4xiii97.352 (12)
V2v—Yb—V2vi87.088 (6)V1viii—V3—V4viii140.306 (14)
V2v—Yb—V3vii69.310 (7)V2ix—V3—V2viii120.161 (11)
V2v—Yb—V3129.757 (6)V2ix—V3—V3viii91.064 (12)
V2v—Yb—V3viii86.524 (7)V2ix—V3—V4xiii46.436 (8)
V2v—Yb—V3ii109.229 (8)V2ix—V3—V4viii99.507 (11)
V2v—Yb—V4iv45.723 (7)V2viii—V3—V3viii143.416 (14)
V2v—Yb—V4viii161.335 (8)V2viii—V3—V4xiii99.904 (10)
V2v—Yb—V4v43.554 (7)V2viii—V3—V4viii47.561 (8)
V2vi—Yb—V3vii129.511 (6)V3viii—V3—V4xiii116.118 (13)
V2vi—Yb—V369.395 (7)V3viii—V3—V4viii113.401 (13)
V2vi—Yb—V3viii53.920 (7)V4xiii—V3—V4viii118.039 (11)
V2vi—Yb—V3ii109.455 (8)Ybxvii—V4—Ybviii119.464 (9)
V2vi—Yb—V4iv84.642 (7)Ybxvii—V4—Ybxix123.744 (10)
V2vi—Yb—V4viii110.766 (7)Ybxvii—V4—V1xi127.817 (11)
V2vi—Yb—V4v43.545 (7)Ybxvii—V4—V1viii72.106 (8)
V3vii—Yb—V391.925 (7)Ybxvii—V4—V266.038 (10)
V3vii—Yb—V3viii79.828 (7)Ybxvii—V4—V2xx118.291 (13)
V3vii—Yb—V3ii120.199 (8)Ybxvii—V4—V2xii82.472 (10)
V3vii—Yb—V4iv105.544 (8)Ybxvii—V4—V3xiv168.991 (11)
V3vii—Yb—V4viii94.184 (8)Ybxvii—V4—V3viii52.603 (7)
V3vii—Yb—V4v101.781 (8)Ybxvii—V4—V4xii59.090 (9)
V3—Yb—V3viii43.577 (7)Ybviii—V4—Ybxix116.735 (11)
V3—Yb—V3ii120.214 (8)Ybviii—V4—V1xi73.041 (9)
V3—Yb—V4iv154.033 (8)Ybviii—V4—V1viii52.382 (7)
V3—Yb—V4viii56.744 (7)Ybviii—V4—V2116.152 (12)
V3—Yb—V4v101.962 (8)Ybviii—V4—V2xx64.924 (9)
V3viii—Yb—V3ii157.538 (8)Ybviii—V4—V2xii126.005 (12)
V3viii—Yb—V4iv119.999 (7)Ybviii—V4—V3xiv51.245 (7)
V3viii—Yb—V4viii99.433 (8)Ybviii—V4—V3viii71.756 (8)
V3viii—Yb—V4v64.075 (8)Ybviii—V4—V4xii177.135 (13)
V3ii—Yb—V4iv67.264 (8)Ybxix—V4—V1xi67.492 (8)
V3ii—Yb—V4viii70.839 (9)Ybxix—V4—V1viii155.870 (12)
V3ii—Yb—V4v116.420 (9)Ybxix—V4—V287.684 (10)
V4iv—Yb—V4viii138.087 (8)Ybxix—V4—V2xx87.365 (10)
V4iv—Yb—V4v56.256 (8)Ybxix—V4—V2xii66.812 (9)
V4viii—Yb—V4v154.053 (9)Ybxix—V4—V3xiv65.624 (8)
Yb—V1—Ybi124.157 (10)Ybxix—V4—V3viii154.897 (12)
Yb—V1—Ybxv107.334 (9)Ybxix—V4—V4xii64.654 (8)
Yb—V1—Ybxvi106.947 (9)V1xi—V4—V1viii119.638 (11)
Yb—V1—V1i72.222 (9)V1xi—V4—V263.767 (11)
Yb—V1—V2ix153.965 (13)V1xi—V4—V2xx112.678 (14)
Yb—V1—V2i58.904 (8)V1xi—V4—V2xii134.121 (13)
Yb—V1—V3vii85.107 (11)V1xi—V4—V3xiv47.415 (9)
Yb—V1—V384.849 (11)V1xi—V4—V3viii95.025 (11)
Yb—V1—V3viii76.060 (10)V1xi—V4—V4xii105.748 (12)
Yb—V1—V4ix155.152 (13)V1viii—V4—V2116.350 (12)
Yb—V1—V4viii59.655 (8)V1viii—V4—V2xx68.547 (10)
Ybi—V1—Ybxv91.274 (7)V1viii—V4—V2xii100.950 (12)
Ybi—V1—Ybxvi125.272 (9)V1viii—V4—V3xiv101.197 (11)
Ybi—V1—V1i51.935 (8)V1viii—V4—V3viii48.531 (8)
Ybi—V1—V2ix72.843 (8)V1viii—V4—V4xii127.424 (14)
Ybi—V1—V2i133.873 (11)V2—V4—V2xx174.791 (15)
Ybi—V1—V3vii68.317 (9)V2—V4—V2xii117.835 (13)
Ybi—V1—V3114.064 (11)V2—V4—V3xiv111.077 (13)
Ybi—V1—V3viii72.598 (9)V2—V4—V3viii67.978 (10)
Ybi—V1—V4ix52.534 (7)V2—V4—V4xii61.111 (11)
Ybi—V1—V4viii176.186 (12)V2xx—V4—V2xii61.408 (11)
Ybxv—V1—Ybxvi91.113 (6)V2xx—V4—V3xiv65.263 (11)
Ybxv—V1—V1i108.002 (10)V2xx—V4—V3viii116.748 (12)
Ybxv—V1—V2ix90.376 (9)V2xx—V4—V4xii117.884 (13)
Ybxv—V1—V2i52.388 (7)V2xii—V4—V3xiv107.698 (12)
Ybxv—V1—V3vii49.054 (8)V2xii—V4—V3viii129.423 (14)
Ybxv—V1—V3139.424 (11)V2xii—V4—V4xii56.724 (10)
Ybxv—V1—V3viii161.536 (12)V3xiv—V4—V3viii116.399 (11)
Ybxv—V1—V4ix51.948 (7)V3xiv—V4—V4xii129.866 (12)
Ybxv—V1—V4viii87.191 (8)V3viii—V4—V4xii105.918 (12)
Ybxvi—V1—V1i160.365 (11)O1i—Yb—O2i93.90 (5)
Ybxvi—V1—V2ix52.472 (7)O1i—Yb—O371.50 (5)
Ybxvi—V1—V2i87.187 (8)O1i—Yb—O4i94.75 (5)
Ybxvi—V1—V3vii139.934 (12)O1i—Yb—O5viii69.25 (5)
Ybxvi—V1—V348.536 (8)O1i—Yb—O6viii140.12 (5)
Ybxvi—V1—V3viii105.426 (11)O1i—Yb—O7ii70.40 (5)
Ybxvi—V1—V4ix88.728 (9)O1i—Yb—O8viii140.15 (5)
Ybxvi—V1—V4viii51.320 (7)O2i—Yb—O3137.22 (5)
V1i—V1—V2ix121.027 (12)O2i—Yb—O4i72.63 (5)
V1i—V1—V2i107.827 (12)O2i—Yb—O5viii142.05 (5)
V1i—V1—V3vii59.580 (10)O2i—Yb—O6viii75.43 (5)
V1i—V1—V3112.570 (13)O2i—Yb—O7ii71.00 (5)
V1i—V1—V3viii55.015 (10)O2i—Yb—O8viii118.12 (5)
V1i—V1—V4ix99.402 (11)O3—Yb—O4i68.99 (5)
V1i—V1—V4viii131.877 (13)O3—Yb—O5viii71.03 (5)
V2ix—V1—V2i126.387 (11)O3—Yb—O6viii140.03 (5)
V2ix—V1—V3vii120.825 (14)O3—Yb—O7ii133.55 (5)
V2ix—V1—V369.486 (11)O3—Yb—O8viii68.86 (5)
V2ix—V1—V3viii93.247 (12)O4i—Yb—O5viii139.88 (5)
V2ix—V1—V4ix50.159 (9)O4i—Yb—O6viii117.26 (5)
V2ix—V1—V4viii103.661 (11)O4i—Yb—O7ii139.33 (5)
V2i—V1—V3vii66.202 (10)O4i—Yb—O8viii74.94 (5)
V2i—V1—V3112.045 (12)O5viii—Yb—O6viii95.65 (5)
V2i—V1—V3viii134.926 (14)O5viii—Yb—O7ii71.32 (5)
V2i—V1—V4ix104.068 (11)O5viii—Yb—O8viii93.85 (5)
V2i—V1—V4viii46.943 (8)O6viii—Yb—O7ii69.79 (5)
V3vii—V1—V3168.906 (16)O6viii—Yb—O8viii74.92 (5)
V3vii—V1—V3viii114.595 (13)O7ii—Yb—O8viii139.70 (5)
V3vii—V1—V4ix70.791 (11)O1ix—V1—O397.61 (6)
V3vii—V1—V4viii112.982 (12)O1ix—V1—O4101.46 (6)
V3—V1—V3viii58.154 (10)O1ix—V1—O4i171.26 (6)
V3—V1—V4ix119.645 (14)O1ix—V1—O5ix100.04 (7)
V3—V1—V4viii65.404 (10)O1ix—V1—O8viii86.64 (6)
V3viii—V1—V4ix119.003 (12)O3—V1—O4151.80 (6)
V3viii—V1—V4viii109.446 (12)O3—V1—O4i81.12 (6)
V4ix—V1—V4viii124.102 (11)O3—V1—O5ix97.70 (6)
Ybxvii—V2—Ybi115.761 (9)O3—V1—O8viii81.08 (6)
Ybxvii—V2—Ybxviii134.434 (9)O4—V1—O4i76.88 (6)
Ybxvii—V2—Ybxix96.990 (7)O4—V1—O5ix99.19 (6)
Ybxvii—V2—V1xi127.208 (11)O4—V1—O8viii79.52 (6)
Ybxvii—V2—V1i69.168 (8)O4i—V1—O5ix88.70 (6)
Ybxvii—V2—V2x80.731 (10)O4i—V1—O8viii84.62 (6)
Ybxvii—V2—V3xi166.674 (11)O5ix—V1—O8viii173.31 (7)
Ybxvii—V2—V3viii51.148 (7)O1—V2—O2xi96.84 (6)
Ybxvii—V2—V4vii112.511 (12)O1—V2—O3i88.73 (6)
Ybxvii—V2—V463.093 (9)O1—V2—O6xi95.74 (6)
Ybxvii—V2—V4xii58.384 (9)O1—V2—O6v177.04 (6)
Ybi—V2—Ybxviii93.592 (8)O1—V2—O7viii98.97 (6)
Ybi—V2—Ybxix130.966 (10)O2xi—V2—O3i173.56 (6)
Ybi—V2—V1xi74.194 (9)O2xi—V2—O6xi96.57 (6)
Ybi—V2—V1i51.133 (7)O2xi—V2—O6v81.49 (6)
Ybi—V2—V2x125.252 (12)O2xi—V2—O7viii85.20 (6)
Ybi—V2—V3xi51.837 (7)O3i—V2—O6xi86.06 (6)
Ybi—V2—V3viii69.884 (8)O3i—V2—O6v93.09 (6)
Ybi—V2—V4vii63.803 (9)O3i—V2—O7viii90.74 (6)
Ybi—V2—V4114.906 (11)O6xi—V2—O6v82.06 (6)
Ybi—V2—V4xii174.022 (13)O6xi—V2—O7viii164.87 (7)
Ybxviii—V2—Ybxix87.088 (6)O6v—V2—O7viii83.35 (6)
Ybxviii—V2—V1xi92.750 (9)O1ix—V3—O4viii172.54 (7)
Ybxviii—V2—V1i113.586 (9)O1ix—V3—O5xiii82.92 (6)
Ybxviii—V2—V2x53.704 (8)O1ix—V3—O786.96 (6)
Ybxviii—V2—V3xi56.861 (7)O1ix—V3—O897.28 (6)
Ybxviii—V2—V3viii159.355 (10)O1ix—V3—O8viii87.46 (6)
Ybxviii—V2—V4vii49.090 (8)O4viii—V3—O5xiii89.65 (6)
Ybxviii—V2—V4135.839 (11)O4viii—V3—O793.30 (6)
Ybxviii—V2—V4xii91.843 (9)O4viii—V3—O882.80 (6)
Ybxix—V2—V1xi56.823 (7)O4viii—V3—O8viii99.97 (6)
Ybxix—V2—V1i159.324 (10)O5xiii—V3—O787.36 (6)
Ybxix—V2—V2x93.850 (9)O5xiii—V3—O895.37 (6)
Ybxix—V2—V3xi90.232 (9)O5xiii—V3—O8viii170.37 (7)
Ybxix—V2—V3viii112.969 (9)O7—V3—O8175.21 (7)
Ybxix—V2—V4vii136.167 (11)O7—V3—O8viii92.56 (6)
Ybxix—V2—V448.762 (8)O8—V3—O8viii85.41 (6)
Ybxix—V2—V4xii51.805 (8)O2xi—V4—O2vi81.30 (6)
V1xi—V2—V1i118.753 (11)O2xi—V4—O3viii175.36 (6)
V1xi—V2—V2x138.492 (13)O2xi—V4—O593.16 (6)
V1xi—V2—V3xi49.179 (9)O2xi—V4—O6xiv88.27 (6)
V1xi—V2—V3viii94.384 (11)O2xi—V4—O7viii86.36 (6)
V1xi—V2—V4vii117.359 (14)O2vi—V4—O3viii96.39 (6)
V1xi—V2—V466.074 (11)O2vi—V4—O5171.62 (6)
V1xi—V2—V4xii108.044 (12)O2vi—V4—O6xiv82.09 (6)
V1i—V2—V2x98.722 (12)O2vi—V4—O7viii85.94 (6)
V1i—V2—V3xi100.683 (10)O3viii—V4—O588.68 (6)
V1i—V2—V3viii46.424 (8)O3viii—V4—O6xiv87.43 (6)
V1i—V2—V4vii64.509 (10)O3viii—V4—O7viii97.51 (6)
V1i—V2—V4110.570 (12)O5—V4—O6xiv91.51 (6)
V1i—V2—V4xii124.051 (13)O5—V4—O7viii100.05 (7)
V2x—V2—V3xi110.044 (12)O6xiv—V4—O7viii167.50 (6)
Symmetry codes: (i) x+1, y+1, z; (ii) x+1/2, y+3/2, z1/2; (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, z1/2; (vi) x+1/2, y+1/2, z+1/2; (vii) x, y, z1; (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, y1/2, z+1/2; (xii) x+1, y, z+1; (xiii) x+1/2, y+1/2, z+3/2; (xiv) x+1/2, y1/2, z+3/2; (xv) x1/2, y+3/2, z1/2; (xvi) x1/2, y+3/2, z+1/2; (xvii) x+3/2, y1/2, z+1/2; (xviii) x1/2, y+1/2, z1/2; (xix) x1/2, y+1/2, z+1/2; (xx) x, y, z+1.
(II) top
Crystal data top
O8V4YbF(000) = 904
Mr = 504.8LeBail fit of synchrotrn powder data.
Monoclinic, P21/nDx = 6.049 Mg m3
Hall symbol: -P 2yabcSynchrotron radiation, λ = 0.47686 Å
a = 9.0651 (3) ÅCell parameters from 378 reflections
b = 10.6239 (4) Åθ = 1–10°
c = 5.7539 (3) ŵ = 7.90 mm1
β = 90.182 (3)°T = 200 K
V = 554.14 (4) Å3Irregular, black
Z = 40.11 × 0.10 × 0.09 mm
Data collection top
Huber 4-circle
diffractometer
6568 independent reflections
Radiation source: Hasylab; D35851 reflections with I > 3σ(I)
Detector resolution: Mar-CCD165 pixels mm-1Rint = 0.053
$πhi$–scansθmax = 32.6°, θmin = 2°
Absorption correction: numerical
Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus)
h = 2020
Tmin = 0.658, Tmax = 0.779k = 2318
68351 measured reflectionsl = 1212
Refinement top
Refinement on FWeighting 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) = 0.039Δρmax = 4.07 e Å3
S = 2.11Δρmin = 9.14; 2.47Å from V3 e Å3
6568 reflectionsExtinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
119 parametersExtinction coefficient: 3077 (272)
Special details top

Experimental. Hasylab, Beamline D3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Yb0.758079 (9)0.657628 (7)0.126403 (14)0.003676 (18
V10.42654 (4)0.61868 (3)0.12334 (6)0.00366 (5)
V20.40829 (4)0.09717 (3)0.12448 (6)0.00363 (5)
V30.45579 (4)0.61092 (3)0.62666 (6)0.00389 (5)
V40.41853 (4)0.10573 (3)0.62584 (6)0.00388 (5)
O10.20313 (18)0.15890 (13)0.1135 (3)0.0055 (3)
O20.12024 (17)0.47316 (14)0.1170 (3)0.0048 (3)
O30.53987 (17)0.77673 (14)0.1210 (3)0.0049 (3)
O40.41363 (17)0.43094 (14)0.1163 (3)0.0051 (3)
O50.20814 (19)0.15822 (14)0.6385 (3)0.0059 (3)
O60.11400 (17)0.47501 (14)0.6336 (3)0.0049 (3)
O70.51279 (17)0.78882 (14)0.6275 (3)0.0054 (3)
O80.41526 (17)0.42721 (14)0.6328 (3)0.0050 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Yb0.00288 (3)0.00384 (3)0.00430 (3)0.000128 (17)0.000004 (19)0.000119 (17)
V10.00326 (9)0.00369 (9)0.00402 (10)0.00025 (7)0.00002 (7)0.00016 (7)
V20.00372 (10)0.00371 (9)0.00345 (9)0.00029 (7)0.00005 (7)0.00014 (7)
V30.00410 (10)0.00380 (9)0.00377 (9)0.00008 (7)0.00015 (7)0.00025 (7)
V40.00426 (10)0.00360 (9)0.00378 (9)0.00017 (7)0.00046 (8)0.00021 (7)
O10.0044 (4)0.0068 (5)0.0052 (5)0.0006 (3)0.0005 (4)0.0003 (3)
O20.0049 (4)0.0052 (4)0.0045 (4)0.0003 (3)0.0002 (3)0.0006 (3)
O30.0052 (5)0.0048 (4)0.0047 (4)0.0006 (3)0.0002 (4)0.0005 (3)
O40.0049 (5)0.0055 (4)0.0047 (4)0.0000 (3)0.0001 (4)0.0003 (3)
O50.0057 (5)0.0068 (5)0.0053 (5)0.0004 (4)0.0007 (4)0.0004 (3)
O60.0047 (4)0.0048 (4)0.0053 (4)0.0005 (3)0.0001 (4)0.0011 (3)
O70.0056 (5)0.0051 (4)0.0055 (5)0.0008 (4)0.0000 (4)0.0002 (3)
O80.0046 (4)0.0053 (4)0.0052 (4)0.0002 (3)0.0003 (4)0.0003 (3)
Geometric parameters (Å, º) top
Yb—V13.0338 (3)Yb—O1i2.4149 (15)
Yb—V1i3.6698 (3)Yb—O2i2.2623 (15)
Yb—V1ii4.0480 (3)Yb—O32.3483 (15)
Yb—V1iii4.0159 (3)Yb—O4i2.2902 (15)
Yb—V2iv3.4039 (3)Yb—O5viii2.3976 (15)
Yb—V2i3.3363 (3)Yb—O6viii2.2863 (15)
Yb—V2v4.1889 (3)Yb—O7ii2.3780 (16)
Yb—V2vi4.1678 (3)Yb—O8viii2.2838 (15)
Yb—V3vii3.9967 (3)V1—O1ix1.9667 (17)
Yb—V34.0113 (3)V1—O31.9685 (15)
Yb—V3viii3.7329 (3)V1—O41.9984 (15)
Yb—V3ii3.0428 (3)V1—O4i2.0715 (16)
Yb—V4iv3.3214 (3)V1—O5ix1.9813 (17)
Yb—V4viii3.3061 (3)V1—O8viii2.0619 (16)
Yb—V4v3.1534 (3)V2—O11.9729 (16)
V1—V1i3.1874 (5)V2—O2xi2.0045 (15)
V1—V2ix3.3762 (5)V2—O3i2.0036 (15)
V1—V2i3.6608 (5)V2—O6xi1.9820 (15)
V1—V3vii2.8722 (5)V2—O6v2.0168 (16)
V1—V32.9085 (5)V2—O7viii2.0023 (16)
V1—V3viii3.0244 (5)V3—O1ix2.0574 (17)
V1—V4ix3.4396 (5)V3—O4viii1.9429 (15)
V1—V4viii3.5517 (5)V3—O5xiii2.0734 (17)
V2—V2x3.0157 (5)V3—O71.9594 (15)
V2—V3xi3.6017 (5)V3—O81.9862 (15)
V2—V3viii3.6298 (5)V3—O8viii1.9415 (16)
V2—V4vii2.8724 (5)V4—O2xi2.0139 (15)
V2—V42.8874 (5)V4—O2vi2.0123 (16)
V2—V4xii3.0267 (5)V4—O3viii1.9545 (15)
V3—V3viii2.8859 (5)V4—O51.9886 (17)
V3—V4xiii3.6846 (5)V4—O6xiv1.9835 (15)
V3—V4viii3.5329 (5)V4—O7viii1.9424 (16)
V4—V4xii3.0561 (5)
V1—Yb—V1i55.812 (8)V2x—V2—V3viii125.828 (13)
V1—Yb—V1ii116.865 (8)V2x—V2—V4vii61.809 (11)
V1—Yb—V1iii117.342 (8)V2x—V2—V4118.694 (14)
V1—Yb—V2iv148.824 (9)V2x—V2—V4xii56.766 (11)
V1—Yb—V2i69.972 (8)V3xi—V2—V3viii115.665 (11)
V1—Yb—V2v103.418 (8)V3xi—V2—V4vii68.311 (11)
V1—Yb—V2vi103.704 (8)V3xi—V2—V4115.219 (13)
V1—Yb—V3vii45.728 (8)V3xi—V2—V4xii133.835 (13)
V1—Yb—V346.235 (8)V3viii—V2—V4vii110.793 (13)
V1—Yb—V3viii51.849 (8)V3viii—V2—V464.479 (10)
V1—Yb—V3ii133.925 (9)V3viii—V2—V4xii104.261 (12)
V1—Yb—V4iv148.274 (9)V4vii—V2—V4174.827 (16)
V1—Yb—V4viii67.985 (9)V4vii—V2—V4xii118.576 (14)
V1—Yb—V4v109.628 (9)V4—V2—V4xii62.176 (11)
V1i—Yb—V1ii111.236 (7)Yb—V3—Ybxx91.864 (7)
V1i—Yb—V1iii157.526 (7)Yb—V3—Ybviii136.427 (9)
V1i—Yb—V2iv114.672 (8)Yb—V3—Ybxvi107.662 (9)
V1i—Yb—V2i104.489 (8)Yb—V3—V148.877 (8)
V1i—Yb—V2v50.355 (7)Yb—V3—V1xx140.885 (13)
V1i—Yb—V2vi84.106 (7)Yb—V3—V1viii101.559 (11)
V1i—Yb—V3vii46.225 (7)Yb—V3—V2ix110.141 (10)
V1i—Yb—V382.547 (7)Yb—V3—V2viii86.880 (9)
V1i—Yb—V3viii45.649 (7)Yb—V3—V3viii63.074 (9)
V1i—Yb—V3ii156.133 (9)Yb—V3—V4xiii155.680 (11)
V1i—Yb—V4iv95.633 (8)Yb—V3—V4viii51.506 (7)
V1i—Yb—V4viii123.797 (8)Ybxx—V3—Ybviii100.183 (8)
V1i—Yb—V4v59.976 (8)Ybxx—V3—Ybxvi107.608 (9)
V1ii—Yb—V1iii91.046 (7)Ybxx—V3—V1140.624 (13)
V1ii—Yb—V2iv94.312 (7)Ybxx—V3—V1xx49.142 (9)
V1ii—Yb—V2i53.362 (7)Ybxx—V3—V1viii61.183 (9)
V1ii—Yb—V2v76.242 (7)Ybxx—V3—V2ix156.781 (11)
V1ii—Yb—V2vi138.576 (7)Ybxx—V3—V2viii51.610 (7)
V1ii—Yb—V3vii79.501 (7)Ybxx—V3—V3viii105.896 (12)
V1ii—Yb—V3147.765 (7)Ybxx—V3—V4xiii110.728 (10)
V1ii—Yb—V3viii156.697 (7)Ybxx—V3—V4viii88.212 (9)
V1ii—Yb—V3ii45.763 (8)Ybviii—V3—Ybxvi108.130 (10)
V1ii—Yb—V4iv56.597 (7)Ybviii—V3—V1110.785 (12)
V1ii—Yb—V4viii92.648 (8)Ybviii—V3—V1xx66.016 (9)
V1ii—Yb—V4v110.188 (8)Ybviii—V3—V1viii52.076 (8)
V1iii—Yb—V2iv58.432 (7)Ybviii—V3—V2ix69.228 (8)
V1iii—Yb—V2i90.938 (7)Ybviii—V3—V2viii132.758 (11)
V1iii—Yb—V2v138.553 (7)Ybviii—V3—V3viii73.353 (10)
V1iii—Yb—V2vi76.825 (7)Ybviii—V3—V4xiii50.312 (7)
V1iii—Yb—V3vii147.569 (7)Ybviii—V3—V4viii167.505 (12)
V1iii—Yb—V379.711 (7)Ybxvi—V3—V185.685 (11)
V1iii—Yb—V3viii112.212 (7)Ybxvi—V3—V1xx85.470 (11)
V1iii—Yb—V3ii45.476 (8)Ybxvi—V3—V1viii149.186 (14)
V1iii—Yb—V4iv94.312 (8)Ybxvi—V3—V2ix59.574 (8)
V1iii—Yb—V4viii55.010 (8)Ybxvi—V3—V2viii60.589 (8)
V1iii—Yb—V4v110.575 (8)Ybxvi—V3—V3viii145.510 (14)
V2iv—Yb—V2i136.833 (8)Ybxvi—V3—V4xiii57.933 (8)
V2iv—Yb—V2v82.995 (7)Ybxvi—V3—V4viii60.128 (8)
V2iv—Yb—V2vi45.570 (7)V1—V3—V1xx168.972 (16)
V2iv—Yb—V3vii152.347 (8)V1—V3—V1viii121.828 (14)
V2iv—Yb—V3106.413 (8)V1—V3—V2ix61.388 (10)
V2iv—Yb—V3viii99.053 (8)V1—V3—V2viii113.473 (13)
V2iv—Yb—V3ii68.268 (8)V1—V3—V3viii62.926 (11)
V2iv—Yb—V4iv50.832 (8)V1—V3—V4xiii107.705 (13)
V2iv—Yb—V4viii113.125 (8)V1—V3—V4viii66.100 (11)
V2iv—Yb—V4v54.817 (8)V1xx—V3—V1viii65.383 (11)
V2i—Yb—V2v110.717 (7)V1xx—V3—V2ix108.240 (13)
V2i—Yb—V2vi161.975 (8)V1xx—V3—V2viii67.370 (11)
V2i—Yb—V3vii58.513 (7)V1xx—V3—V3viii123.551 (15)
V2i—Yb—V395.635 (8)V1xx—V3—V4xiii61.822 (11)
V2i—Yb—V3viii121.792 (8)V1xx—V3—V4viii114.558 (13)
V2i—Yb—V3ii68.572 (9)V1viii—V3—V2ix118.651 (13)
V2i—Yb—V4iv109.813 (8)V1viii—V3—V2viii112.501 (13)
V2i—Yb—V4viii51.242 (8)V1viii—V3—V3viii58.902 (11)
V2i—Yb—V4v154.187 (9)V1viii—V3—V4xiii97.351 (12)
V2v—Yb—V2vi87.029 (6)V1viii—V3—V4viii140.273 (14)
V2v—Yb—V3vii69.352 (7)V2ix—V3—V2viii120.158 (12)
V2v—Yb—V3129.723 (7)V2ix—V3—V3viii91.138 (12)
V2v—Yb—V3viii86.497 (7)V2ix—V3—V4xiii46.417 (8)
V2v—Yb—V3ii109.256 (8)V2ix—V3—V4viii99.547 (11)
V2v—Yb—V4iv45.747 (7)V2viii—V3—V3viii143.370 (14)
V2v—Yb—V4viii161.369 (8)V2viii—V3—V4xiii99.914 (11)
V2v—Yb—V4v43.530 (8)V2viii—V3—V4viii47.522 (8)
V2vi—Yb—V3vii129.482 (7)V3viii—V3—V4xiii116.142 (13)
V2vi—Yb—V369.431 (7)V3viii—V3—V4viii113.435 (13)
V2vi—Yb—V3viii53.901 (7)V4xiii—V3—V4viii118.052 (12)
V2vi—Yb—V3ii109.474 (8)Ybxvii—V4—Ybviii119.438 (10)
V2vi—Yb—V4iv84.593 (7)Ybxvii—V4—Ybxix123.744 (10)
V2vi—Yb—V4viii110.793 (8)Ybxvii—V4—V1xi127.879 (12)
V2vi—Yb—V4v43.510 (8)Ybxvii—V4—V1viii72.078 (9)
V3vii—Yb—V391.864 (7)Ybxvii—V4—V266.063 (9)
V3vii—Yb—V3viii79.817 (7)Ybxvii—V4—V2xx118.236 (13)
V3vii—Yb—V3ii120.211 (8)Ybxvii—V4—V2xii82.439 (10)
V3vii—Yb—V4iv105.610 (8)Ybxvii—V4—V3xiv169.000 (12)
V3vii—Yb—V4viii94.175 (8)Ybxvii—V4—V3viii52.600 (8)
V3vii—Yb—V4v101.787 (8)Ybxvii—V4—V4xii59.093 (9)
V3—Yb—V3viii43.573 (7)Ybviii—V4—Ybxix116.761 (10)
V3—Yb—V3ii120.222 (8)Ybviii—V4—V1xi73.042 (9)
V3—Yb—V4iv154.019 (8)Ybviii—V4—V1viii52.363 (7)
V3—Yb—V4viii56.758 (7)Ybviii—V4—V2116.148 (12)
V3—Yb—V4v101.953 (8)Ybviii—V4—V2xx64.922 (9)
V3viii—Yb—V3ii157.529 (8)Ybviii—V4—V2xii126.020 (12)
V3viii—Yb—V4iv119.978 (8)Ybviii—V4—V3xiv51.256 (7)
V3viii—Yb—V4viii99.454 (8)Ybviii—V4—V3viii71.736 (8)
V3viii—Yb—V4v64.049 (8)Ybviii—V4—V4xii177.157 (13)
V3ii—Yb—V4iv67.272 (9)Ybxix—V4—V1xi67.484 (9)
V3ii—Yb—V4viii70.811 (9)Ybxix—V4—V1viii155.894 (12)
V3ii—Yb—V4v116.445 (9)Ybxix—V4—V287.691 (11)
V4iv—Yb—V4viii138.068 (8)Ybxix—V4—V2xx87.393 (11)
V4iv—Yb—V4v56.256 (8)Ybxix—V4—V2xii66.806 (9)
V4viii—Yb—V4v154.045 (9)Ybxix—V4—V3xiv65.639 (8)
Yb—V1—Ybi124.188 (10)Ybxix—V4—V3viii154.931 (12)
Yb—V1—Ybxv107.331 (9)Ybxix—V4—V4xii64.652 (9)
Yb—V1—Ybxvi106.963 (9)V1xi—V4—V1viii119.625 (12)
Yb—V1—V1i72.251 (10)V1xi—V4—V263.800 (11)
Yb—V1—V2ix153.988 (13)V1xi—V4—V2xx112.669 (13)
Yb—V1—V2i58.896 (8)V1xi—V4—V2xii134.107 (13)
Yb—V1—V3vii85.130 (11)V1xi—V4—V3xiv47.397 (9)
Yb—V1—V384.888 (11)V1xi—V4—V3viii95.079 (11)
Yb—V1—V3viii76.075 (10)V1xi—V4—V4xii105.794 (12)
Yb—V1—V4ix155.159 (13)V1viii—V4—V2116.318 (13)
Yb—V1—V4viii59.652 (8)V1viii—V4—V2xx68.544 (11)
Ybi—V1—Ybxv91.297 (7)V1viii—V4—V2xii100.974 (12)
Ybi—V1—Ybxvi125.239 (9)V1viii—V4—V3xiv101.192 (11)
Ybi—V1—V1i51.937 (8)V1viii—V4—V3viii48.476 (9)
Ybi—V1—V2ix72.821 (9)V1viii—V4—V4xii127.404 (13)
Ybi—V1—V2i133.921 (11)V2—V4—V2xx174.827 (16)
Ybi—V1—V3vii68.336 (9)V2—V4—V2xii117.824 (14)
Ybi—V1—V3114.030 (12)V2—V4—V3xiv111.095 (13)
Ybi—V1—V3viii72.592 (9)V2—V4—V3viii67.999 (11)
Ybi—V1—V4ix52.539 (7)V2—V4—V4xii61.149 (11)
Ybi—V1—V4viii176.159 (12)V2xx—V4—V2xii61.424 (11)
Ybxv—V1—Ybxvi91.046 (7)V2xx—V4—V3xiv65.272 (11)
Ybxv—V1—V1i108.035 (11)V2xx—V4—V3viii116.695 (13)
Ybxv—V1—V2ix90.327 (9)V2xx—V4—V4xii117.855 (14)
Ybxv—V1—V2i52.394 (7)V2xii—V4—V3xiv107.705 (12)
Ybxv—V1—V3vii49.054 (8)V2xii—V4—V3viii129.389 (14)
Ybxv—V1—V3139.376 (12)V2xii—V4—V4xii56.675 (10)
Ybxv—V1—V3viii161.558 (12)V3xiv—V4—V3viii116.410 (12)
Ybxv—V1—V4ix51.948 (7)V3xiv—V4—V4xii129.885 (13)
Ybxv—V1—V4viii87.162 (9)V3viii—V4—V4xii105.934 (12)
Ybxvi—V1—V1i160.390 (12)O1i—Yb—O2i94.00 (5)
Ybxvi—V1—V2ix52.461 (7)O1i—Yb—O371.44 (5)
Ybxvi—V1—V2i87.141 (8)O1i—Yb—O4i94.76 (5)
Ybxvi—V1—V3vii139.872 (12)O1i—Yb—O5viii69.23 (5)
Ybxvi—V1—V348.552 (8)O1i—Yb—O6viii140.20 (5)
Ybxvi—V1—V3viii105.465 (11)O1i—Yb—O7ii70.44 (5)
Ybxvi—V1—V4ix88.676 (9)O1i—Yb—O8viii140.10 (5)
Ybxvi—V1—V4viii51.324 (7)O2i—Yb—O3137.31 (5)
V1i—V1—V2ix121.019 (13)O2i—Yb—O4i72.66 (5)
V1i—V1—V2i107.876 (12)O2i—Yb—O5viii142.07 (6)
V1i—V1—V3vii59.612 (11)O2i—Yb—O6viii75.40 (5)
V1i—V1—V3112.585 (13)O2i—Yb—O7ii70.93 (5)
V1i—V1—V3viii55.005 (10)O2i—Yb—O8viii118.10 (5)
V1i—V1—V4ix99.408 (12)O3—Yb—O4i69.05 (5)
V1i—V1—V4viii131.903 (13)O3—Yb—O5viii70.97 (5)
V2ix—V1—V2i126.342 (12)O3—Yb—O6viii139.97 (5)
V2ix—V1—V3vii120.775 (14)O3—Yb—O7ii133.55 (5)
V2ix—V1—V369.475 (11)O3—Yb—O8viii68.87 (5)
V2ix—V1—V3viii93.278 (12)O4i—Yb—O5viii139.87 (5)
V2ix—V1—V4ix50.118 (9)O4i—Yb—O6viii117.23 (5)
V2ix—V1—V4viii103.654 (11)O4i—Yb—O7ii139.28 (5)
V2i—V1—V3vii66.231 (10)O4i—Yb—O8viii74.95 (5)
V2i—V1—V3112.033 (13)O5viii—Yb—O6viii95.66 (5)
V2i—V1—V3viii134.931 (14)O5viii—Yb—O7ii71.40 (5)
V2i—V1—V4ix104.074 (11)O5viii—Yb—O8viii93.82 (5)
V2i—V1—V4viii46.907 (8)O6viii—Yb—O7ii69.83 (5)
V3vii—V1—V3168.972 (16)O6viii—Yb—O8viii74.86 (5)
V3vii—V1—V3viii114.617 (14)O7ii—Yb—O8viii139.71 (5)
V3vii—V1—V4ix70.780 (11)O1ix—V1—O397.65 (6)
V3vii—V1—V4viii112.977 (13)O1ix—V1—O4101.38 (6)
V3—V1—V3viii58.172 (11)O1ix—V1—O4i171.40 (7)
V3—V1—V4ix119.593 (14)O1ix—V1—O5ix99.85 (7)
V3—V1—V4viii65.424 (10)O1ix—V1—O8viii86.76 (6)
V3viii—V1—V4ix119.005 (13)O3—V1—O4151.85 (7)
V3viii—V1—V4viii109.461 (13)O3—V1—O4i81.16 (6)
V4ix—V1—V4viii124.075 (12)O3—V1—O5ix97.72 (6)
Ybxvii—V2—Ybi115.765 (9)O3—V1—O8viii81.06 (6)
Ybxvii—V2—Ybxviii134.430 (9)O4—V1—O4i76.91 (6)
Ybxvii—V2—Ybxix97.005 (8)O4—V1—O5ix99.22 (6)
Ybxvii—V2—V1xi127.232 (11)O4—V1—O8viii79.53 (6)
Ybxvii—V2—V1i69.174 (8)O4i—V1—O5ix88.76 (7)
Ybxvii—V2—V2x80.719 (10)O4i—V1—O8viii84.63 (6)
Ybxvii—V2—V3xi166.689 (12)O5ix—V1—O8viii173.39 (7)
Ybxvii—V2—V3viii51.143 (7)O1—V2—O2xi96.80 (6)
Ybxvii—V2—V4vii112.530 (12)O1—V2—O3i88.76 (6)
Ybxvii—V2—V463.105 (9)O1—V2—O6xi95.74 (6)
Ybxvii—V2—V4xii58.378 (9)O1—V2—O6v177.05 (6)
Ybi—V2—Ybxviii93.632 (8)O1—V2—O7viii98.99 (6)
Ybi—V2—Ybxix130.950 (9)O2xi—V2—O3i173.56 (7)
Ybi—V2—V1xi74.176 (9)O2xi—V2—O6xi96.46 (6)
Ybi—V2—V1i51.132 (7)O2xi—V2—O6v81.51 (6)
Ybi—V2—V2x125.324 (12)O2xi—V2—O7viii85.14 (6)
Ybi—V2—V3xi51.854 (7)O3i—V2—O6xi86.17 (6)
Ybi—V2—V3viii69.878 (8)O3i—V2—O6v93.07 (6)
Ybi—V2—V4vii63.836 (9)O3i—V2—O7viii90.80 (6)
Ybi—V2—V4114.882 (12)O6xi—V2—O6v82.10 (6)
Ybi—V2—V4xii174.017 (13)O6xi—V2—O7viii164.90 (7)
Ybxviii—V2—Ybxix87.029 (6)O6v—V2—O7viii83.29 (6)
Ybxviii—V2—V1xi92.711 (9)O1ix—V3—O4viii172.59 (7)
Ybxviii—V2—V1i113.633 (10)O1ix—V3—O5xiii82.87 (7)
Ybxviii—V2—V2x53.710 (8)O1ix—V3—O786.94 (6)
Ybxviii—V2—V3xi56.871 (7)O1ix—V3—O897.25 (6)
Ybxviii—V2—V3viii159.382 (11)O1ix—V3—O8viii87.55 (7)
Ybxviii—V2—V4vii49.098 (8)O4viii—V3—O5xiii89.75 (7)
Ybxviii—V2—V4135.796 (12)O4viii—V3—O793.38 (6)
Ybxviii—V2—V4xii91.814 (10)O4viii—V3—O882.76 (6)
Ybxix—V2—V1xi56.824 (7)O4viii—V3—O8viii99.82 (7)
Ybxix—V2—V1i159.336 (11)O5xiii—V3—O787.37 (6)
Ybxix—V2—V2x93.785 (10)O5xiii—V3—O895.37 (6)
Ybxix—V2—V3xi90.191 (9)O5xiii—V3—O8viii170.42 (7)
Ybxix—V2—V3viii113.006 (10)O7—V3—O8175.24 (7)
Ybxix—V2—V4vii136.115 (12)O7—V3—O8viii92.51 (6)
Ybxix—V2—V448.779 (8)O8—V3—O8viii85.44 (6)
Ybxix—V2—V4xii51.814 (8)O2xi—V4—O2vi81.24 (6)
V1xi—V2—V1i118.748 (12)O2xi—V4—O3viii175.32 (6)
V1xi—V2—V2x138.443 (14)O2xi—V4—O593.23 (6)
V1xi—V2—V3xi49.137 (9)O2xi—V4—O6xiv88.19 (6)
V1xi—V2—V3viii94.423 (11)O2xi—V4—O7viii86.47 (6)
V1xi—V2—V4vii117.329 (14)O2vi—V4—O3viii96.42 (6)
V1xi—V2—V466.082 (11)O2vi—V4—O5171.65 (6)
V1xi—V2—V4xii108.053 (13)O2vi—V4—O6xiv82.14 (6)
V1i—V2—V2x98.784 (12)O2vi—V4—O7viii85.85 (6)
V1i—V2—V3xi100.702 (11)O3viii—V4—O588.64 (7)
V1i—V2—V3viii46.399 (8)O3viii—V4—O6xiv87.47 (6)
V1i—V2—V4vii64.549 (10)O3viii—V4—O7viii97.43 (6)
V1i—V2—V4110.566 (13)O5—V4—O6xiv91.49 (6)
V1i—V2—V4xii124.055 (13)O5—V4—O7viii100.11 (7)
V2x—V2—V3xi110.066 (12)O6xiv—V4—O7viii167.47 (7)
Symmetry codes: (i) x+1, y+1, z; (ii) x+1/2, y+3/2, z1/2; (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, z1/2; (vi) x+1/2, y+1/2, z+1/2; (vii) x, y, z1; (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, y1/2, z+1/2; (xii) x+1, y, z+1; (xiii) x+1/2, y+1/2, z+3/2; (xiv) x+1/2, y1/2, z+3/2; (xv) x1/2, y+3/2, z1/2; (xvi) x1/2, y+3/2, z+1/2; (xvii) x+3/2, y1/2, z+1/2; (xviii) x1/2, y+1/2, z1/2; (xix) x1/2, y+1/2, z+1/2; (xx) x, y, z+1.
(III) top
Crystal data top
O8V4YbF(000) = 904
Mr = 504.8LeBail fit of synchrotrn powder data.
Monoclinic, P21/nDx = 6.056 Mg m3
Hall symbol: -P 2yabcSynchrotron radiation, λ = 0.47686 Å
a = 9.0641 (3) ÅCell parameters from 378 reflections
b = 10.6229 (4) Åθ = 1–10°
c = 5.7487 (3) ŵ = 7.91 mm1
β = 90.182 (3)°T = 150 K
V = 553.52 (4) Å3Irregular, black
Z = 40.11 × 0.10 × 0.09 mm
Data collection top
Huber 4-circle
diffractometer
6572 independent reflections
Radiation source: Hasylab; D35643 reflections with I > 3σ(I)
Detector resolution: Mar-CCD165 pixels mm-1Rint = 0.056
$πhi$–scansθmax = 32.6°, θmin = 2°
Absorption correction: numerical
Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus)
h = 2020
Tmin = 0.669, Tmax = 0.822k = 2318
62291 measured reflectionsl = 1212
Refinement top
Refinement on FWeighting 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) = 0.038Δρmax = 5.09 e Å3
S = 1.74Δρmin = 7.73 e Å3
6572 reflectionsExtinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
119 parametersExtinction coefficient: 3251 (320)
Special details top

Experimental. Hasylab, Beamline D3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Yb0.758073 (9)0.657619 (8)0.126267 (15)0.002986 (18
V10.42668 (4)0.61865 (3)0.12330 (6)0.00305 (6)
V20.40833 (4)0.09723 (3)0.12451 (6)0.00301 (6)
V30.45556 (4)0.61090 (3)0.62661 (6)0.00330 (6)
V40.41845 (4)0.10573 (3)0.62581 (6)0.00328 (6)
O10.20307 (19)0.15878 (14)0.1135 (3)0.0049 (3)
O20.11994 (18)0.47314 (15)0.1173 (3)0.0043 (3)
O30.53982 (18)0.77649 (15)0.1211 (3)0.0043 (3)
O40.41358 (18)0.43099 (15)0.1163 (3)0.0045 (3)
O50.20814 (19)0.15818 (14)0.6381 (3)0.0053 (3)
O60.11373 (18)0.47488 (15)0.6339 (3)0.0043 (3)
O70.51258 (18)0.78865 (15)0.6273 (3)0.0049 (3)
O80.41506 (18)0.42737 (15)0.6328 (3)0.0045 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Yb0.00266 (3)0.00282 (3)0.00347 (3)0.000120 (19)0.00014 (2)0.000097 (19)
V10.00297 (10)0.00267 (10)0.00349 (10)0.00021 (8)0.00014 (8)0.00016 (7)
V20.00335 (10)0.00278 (10)0.00291 (10)0.00026 (8)0.00011 (8)0.00014 (7)
V30.00366 (10)0.00300 (10)0.00323 (10)0.00008 (8)0.00030 (8)0.00015 (7)
V40.00388 (10)0.00268 (10)0.00328 (10)0.00004 (8)0.00025 (8)0.00012 (8)
O10.0043 (5)0.0057 (5)0.0047 (5)0.0001 (4)0.0004 (4)0.0002 (4)
O20.0044 (5)0.0041 (5)0.0043 (5)0.0000 (4)0.0000 (4)0.0006 (4)
O30.0055 (5)0.0030 (4)0.0043 (5)0.0005 (4)0.0001 (4)0.0003 (3)
O40.0044 (5)0.0049 (5)0.0042 (5)0.0000 (4)0.0002 (4)0.0003 (4)
O50.0053 (5)0.0056 (5)0.0050 (5)0.0005 (4)0.0003 (4)0.0000 (4)
O60.0045 (5)0.0040 (5)0.0045 (5)0.0005 (4)0.0004 (4)0.0008 (4)
O70.0054 (5)0.0042 (5)0.0051 (5)0.0005 (4)0.0000 (4)0.0004 (4)
O80.0042 (5)0.0050 (5)0.0044 (5)0.0002 (4)0.0001 (4)0.0006 (4)
Geometric parameters (Å, º) top
Yb—V13.0322 (4)Yb—O1i2.4147 (16)
Yb—V1i3.6688 (3)Yb—O2i2.2634 (16)
Yb—V1ii4.0463 (4)Yb—O32.3471 (16)
Yb—V1iii4.0150 (4)Yb—O4i2.2884 (16)
Yb—V2iv3.4029 (4)Yb—O5viii2.3990 (16)
Yb—V2i3.3349 (3)Yb—O6viii2.2852 (16)
Yb—V2v4.1867 (3)Yb—O7ii2.3765 (17)
Yb—V2vi4.1669 (3)Yb—O8viii2.2825 (16)
Yb—V3vii3.9957 (4)V1—O1ix1.9661 (17)
Yb—V34.0110 (4)V1—O31.9655 (16)
Yb—V3viii3.7312 (4)V1—O41.9974 (16)
Yb—V3ii3.0415 (4)V1—O4i2.0697 (16)
Yb—V4iv3.3207 (4)V1—O5ix1.9788 (18)
Yb—V4viii3.3054 (3)V1—O8viii2.0615 (16)
Yb—V4v3.1527 (3)V2—O11.9729 (17)
V1—V1i3.1848 (5)V2—O2xi2.0019 (16)
V1—V2ix3.3767 (5)V2—O3i2.0046 (16)
V1—V2i3.6591 (5)V2—O6xi1.9834 (16)
V1—V3vii2.8693 (5)V2—O6v2.0138 (16)
V1—V32.9055 (5)V2—O7viii2.0032 (17)
V1—V3viii3.0238 (5)V3—O1ix2.0539 (17)
V1—V4ix3.4391 (5)V3—O4viii1.9439 (16)
V1—V4viii3.5511 (5)V3—O5xiii2.0728 (18)
V2—V2x3.0154 (5)V3—O71.9577 (16)
V2—V3xi3.5992 (5)V3—O81.9842 (16)
V2—V3viii3.6292 (5)V3—O8viii1.9432 (16)
V2—V4vii2.8701 (5)V4—O2xi2.0139 (16)
V2—V42.8844 (5)V4—O2vi2.0101 (16)
V2—V4xii3.0264 (5)V4—O3viii1.9549 (16)
V3—V3viii2.8857 (5)V4—O51.9875 (18)
V3—V4xiii3.6813 (5)V4—O6xiv1.9820 (16)
V3—V4viii3.5329 (5)V4—O7viii1.9422 (17)
V4—V4xii3.0557 (5)
V1—Yb—V1i55.783 (9)V2x—V2—V3viii125.819 (14)
V1—Yb—V1ii116.908 (9)V2x—V2—V4vii61.831 (12)
V1—Yb—V1iii117.364 (9)V2x—V2—V4118.682 (15)
V1—Yb—V2iv148.821 (9)V2x—V2—V4xii56.722 (11)
V1—Yb—V2i69.971 (9)V3xi—V2—V3viii115.695 (12)
V1—Yb—V2v103.431 (8)V3xi—V2—V4vii68.299 (11)
V1—Yb—V2vi103.698 (8)V3xi—V2—V4115.193 (14)
V1—Yb—V3vii45.689 (8)V3xi—V2—V4xii133.818 (14)
V1—Yb—V346.186 (8)V3viii—V2—V4vii110.793 (13)
V1—Yb—V3viii51.864 (8)V3viii—V2—V464.512 (11)
V1—Yb—V3ii133.899 (10)V3viii—V2—V4xii104.268 (13)
V1—Yb—V4iv148.311 (9)V4vii—V2—V4174.870 (17)
V1—Yb—V4viii67.998 (9)V4vii—V2—V4xii118.554 (15)
V1—Yb—V4v109.611 (9)V4—V2—V4xii62.204 (12)
V1i—Yb—V1ii111.308 (8)Yb—V3—Ybxx91.777 (8)
V1i—Yb—V1iii157.522 (8)Yb—V3—Ybviii136.420 (10)
V1i—Yb—V2iv114.689 (8)Yb—V3—Ybxvi107.649 (10)
V1i—Yb—V2i104.499 (8)Yb—V3—V148.854 (9)
V1i—Yb—V2v50.389 (7)Yb—V3—V1xx140.787 (13)
V1i—Yb—V2vi84.081 (7)Yb—V3—V1viii101.516 (11)
V1i—Yb—V3vii46.228 (7)Yb—V3—V2ix110.186 (10)
V1i—Yb—V382.486 (8)Yb—V3—V2viii86.829 (9)
V1i—Yb—V3viii45.618 (8)Yb—V3—V3viii63.044 (10)
V1i—Yb—V3ii156.187 (9)Yb—V3—V4xiii155.724 (12)
V1i—Yb—V4iv95.688 (8)Yb—V3—V4viii51.497 (7)
V1i—Yb—V4viii123.781 (9)Ybxx—V3—Ybviii100.197 (8)
V1i—Yb—V4v59.984 (8)Ybxx—V3—Ybxvi107.613 (10)
V1ii—Yb—V1iii90.978 (7)Ybxx—V3—V1140.516 (13)
V1ii—Yb—V2iv94.271 (8)Ybxx—V3—V1xx49.129 (9)
V1ii—Yb—V2i53.397 (8)Ybxx—V3—V1viii61.180 (9)
V1ii—Yb—V2v76.294 (7)Ybxx—V3—V2ix156.820 (12)
V1ii—Yb—V2vi138.542 (7)Ybxx—V3—V2viii51.600 (7)
V1ii—Yb—V3vii79.580 (7)Ybxx—V3—V3viii105.783 (12)
V1ii—Yb—V3147.749 (7)Ybxx—V3—V4xiii110.770 (10)
V1ii—Yb—V3viii156.745 (8)Ybxx—V3—V4viii88.135 (9)
V1ii—Yb—V3ii45.731 (8)Ybviii—V3—Ybxvi108.191 (10)
V1ii—Yb—V4iv56.610 (8)Ybviii—V3—V1110.829 (12)
V1ii—Yb—V4viii92.627 (8)Ybviii—V3—V1xx66.043 (10)
V1ii—Yb—V4v110.207 (8)Ybviii—V3—V1viii52.069 (9)
V1iii—Yb—V2iv58.418 (8)Ybviii—V3—V2ix69.257 (8)
V1iii—Yb—V2i90.916 (8)Ybviii—V3—V2viii132.782 (12)
V1iii—Yb—V2v138.515 (7)Ybviii—V3—V3viii73.376 (10)
V1iii—Yb—V2vi76.854 (7)Ybviii—V3—V4xiii50.336 (7)
V1iii—Yb—V3vii147.553 (7)Ybviii—V3—V4viii167.576 (13)
V1iii—Yb—V379.772 (7)Ybxvi—V3—V185.715 (11)
V1iii—Yb—V3viii112.235 (8)Ybxvi—V3—V1xx85.521 (12)
V1iii—Yb—V3ii45.435 (8)Ybxvi—V3—V1viii149.225 (15)
V1iii—Yb—V4iv94.255 (8)Ybxvi—V3—V2ix59.588 (8)
V1iii—Yb—V4viii55.014 (8)Ybxvi—V3—V2viii60.586 (8)
V1iii—Yb—V4v110.572 (8)Ybxvi—V3—V3viii145.594 (15)
V2iv—Yb—V2i136.827 (9)Ybxvi—V3—V4xiii57.969 (8)
V2iv—Yb—V2v82.969 (8)Ybxvi—V3—V4viii60.125 (8)
V2iv—Yb—V2vi45.577 (7)V1—V3—V1xx169.093 (17)
V2iv—Yb—V3vii152.385 (8)V1—V3—V1viii121.795 (15)
V2iv—Yb—V3106.459 (8)V1—V3—V2ix61.456 (11)
V2iv—Yb—V3viii99.038 (8)V1—V3—V2viii113.442 (13)
V2iv—Yb—V3ii68.283 (9)V1—V3—V3viii62.949 (12)
V2iv—Yb—V4iv50.789 (9)V1—V3—V4xiii107.774 (13)
V2iv—Yb—V4viii113.114 (9)V1—V3—V4viii66.113 (11)
V2iv—Yb—V4v54.827 (9)V1xx—V3—V1viii65.365 (12)
V2i—Yb—V2v110.780 (8)V1xx—V3—V2ix108.295 (14)
V2i—Yb—V2vi161.969 (8)V1xx—V3—V2viii67.366 (11)
V2i—Yb—V3vii58.522 (8)V1xx—V3—V3viii123.498 (15)
V2i—Yb—V395.586 (8)V1xx—V3—V4xiii61.878 (11)
V2i—Yb—V3viii121.805 (8)V1xx—V3—V4viii114.515 (14)
V2i—Yb—V3ii68.550 (9)V1viii—V3—V2ix118.674 (13)
V2i—Yb—V4iv109.860 (9)V1viii—V3—V2viii112.488 (13)
V2i—Yb—V4viii51.215 (9)V1viii—V3—V3viii58.846 (12)
V2i—Yb—V4v154.222 (9)V1viii—V3—V4xiii97.370 (12)
V2v—Yb—V2vi86.970 (7)V1viii—V3—V4viii140.205 (15)
V2v—Yb—V3vii69.416 (7)V2ix—V3—V2viii120.170 (12)
V2v—Yb—V3129.693 (7)V2ix—V3—V3viii91.242 (13)
V2v—Yb—V3viii86.465 (7)V2ix—V3—V4xiii46.417 (9)
V2v—Yb—V3ii109.298 (8)V2ix—V3—V4viii99.593 (12)
V2v—Yb—V4iv45.767 (8)V2viii—V3—V3viii143.258 (15)
V2v—Yb—V4viii161.408 (8)V2viii—V3—V4xiii99.942 (11)
V2v—Yb—V4v43.502 (8)V2viii—V3—V4viii47.474 (9)
V2vi—Yb—V3vii129.458 (7)V3viii—V3—V4xiii116.216 (14)
V2vi—Yb—V369.475 (7)V3viii—V3—V4viii113.415 (14)
V2vi—Yb—V3viii53.877 (7)V4xiii—V3—V4viii118.085 (12)
V2vi—Yb—V3ii109.496 (8)Ybxvii—V4—Ybviii119.420 (10)
V2vi—Yb—V4iv84.549 (8)Ybxvii—V4—Ybxix123.739 (11)
V2vi—Yb—V4viii110.814 (8)Ybxvii—V4—V1xi127.945 (12)
V2vi—Yb—V4v43.479 (8)Ybxvii—V4—V1viii72.058 (9)
V3vii—Yb—V391.777 (7)Ybxvii—V4—V266.079 (10)
V3vii—Yb—V3viii79.803 (8)Ybxvii—V4—V2xx118.177 (13)
V3vii—Yb—V3ii120.226 (9)Ybxvii—V4—V2xii82.402 (11)
V3vii—Yb—V4iv105.696 (8)Ybxvii—V4—V3xiv169.017 (12)
V3vii—Yb—V4viii94.152 (8)Ybxvii—V4—V3viii52.579 (8)
V3vii—Yb—V4v101.804 (8)Ybxvii—V4—V4xii59.090 (9)
V3—Yb—V3viii43.580 (7)Ybviii—V4—Ybxix116.787 (11)
V3—Yb—V3ii120.215 (9)Ybviii—V4—V1xi73.038 (9)
V3—Yb—V4iv154.020 (8)Ybviii—V4—V1viii52.344 (8)
V3—Yb—V4viii56.765 (8)Ybviii—V4—V2116.150 (13)
V3—Yb—V4v101.951 (8)Ybviii—V4—V2xx64.924 (10)
V3viii—Yb—V3ii157.513 (9)Ybviii—V4—V2xii126.045 (13)
V3viii—Yb—V4iv119.951 (8)Ybviii—V4—V3xiv51.267 (7)
V3viii—Yb—V4viii99.483 (8)Ybviii—V4—V3viii71.738 (9)
V3viii—Yb—V4v64.011 (8)Ybviii—V4—V4xii177.178 (14)
V3ii—Yb—V4iv67.296 (9)Ybxix—V4—V1xi67.477 (9)
V3ii—Yb—V4viii70.764 (9)Ybxix—V4—V1viii155.917 (13)
V3ii—Yb—V4v116.489 (10)Ybxix—V4—V287.698 (11)
V4iv—Yb—V4viii138.046 (9)Ybxix—V4—V2xx87.423 (11)
V4iv—Yb—V4v56.261 (9)Ybxix—V4—V2xii66.795 (9)
V4viii—Yb—V4v154.035 (9)Ybxix—V4—V3xiv65.653 (9)
Yb—V1—Ybi124.217 (11)Ybxix—V4—V3viii154.964 (13)
Yb—V1—Ybxv107.338 (9)Ybxix—V4—V4xii64.649 (9)
Yb—V1—Ybxvi106.989 (9)V1xi—V4—V1viii119.611 (12)
Yb—V1—V1i72.285 (10)V1xi—V4—V263.846 (11)
Yb—V1—V2ix154.022 (14)V1xi—V4—V2xx112.661 (14)
Yb—V1—V2i58.901 (8)V1xi—V4—V2xii134.087 (14)
Yb—V1—V3vii85.182 (12)V1xi—V4—V3xiv47.377 (9)
Yb—V1—V384.960 (12)V1xi—V4—V3viii95.149 (12)
Yb—V1—V3viii76.067 (11)V1xi—V4—V4xii105.844 (13)
Yb—V1—V4ix155.173 (14)V1viii—V4—V2116.289 (14)
Yb—V1—V4viii59.658 (8)V1viii—V4—V2xx68.537 (11)
Ybi—V1—Ybxv91.317 (8)V1viii—V4—V2xii101.007 (13)
Ybi—V1—Ybxvi125.193 (10)V1viii—V4—V3xiv101.186 (12)
Ybi—V1—V1i51.932 (8)V1viii—V4—V3viii48.428 (9)
Ybi—V1—V2ix72.783 (9)V1viii—V4—V4xii127.385 (14)
Ybi—V1—V2i133.962 (12)V2—V4—V2xx174.870 (17)
Ybi—V1—V3vii68.339 (10)V2—V4—V2xii117.796 (15)
Ybi—V1—V3113.974 (12)V2—V4—V3xiv111.121 (14)
Ybi—V1—V3viii72.592 (10)V2—V4—V3viii68.014 (11)
Ybi—V1—V4ix52.540 (8)V2—V4—V4xii61.179 (12)
Ybi—V1—V4viii176.124 (13)V2xx—V4—V2xii61.446 (12)
Ybxv—V1—Ybxvi90.978 (7)V2xx—V4—V3xiv65.284 (11)
Ybxv—V1—V1i108.073 (11)V2xx—V4—V3viii116.647 (14)
Ybxv—V1—V2ix90.267 (10)V2xx—V4—V4xii117.824 (15)
Ybxv—V1—V2i52.395 (7)V2xii—V4—V3xiv107.714 (13)
Ybxv—V1—V3vii49.044 (9)V2xii—V4—V3viii129.339 (14)
Ybxv—V1—V3139.317 (13)V2xii—V4—V4xii56.618 (11)
Ybxv—V1—V3viii161.575 (13)V3xiv—V4—V3viii116.446 (12)
Ybxv—V1—V4ix51.947 (8)V3xiv—V4—V4xii129.902 (13)
Ybxv—V1—V4viii87.138 (9)V3viii—V4—V4xii105.928 (13)
Ybxvi—V1—V1i160.408 (13)O1i—Yb—O2i94.02 (6)
Ybxvi—V1—V2ix52.453 (8)O1i—Yb—O371.50 (6)
Ybxvi—V1—V2i87.104 (9)O1i—Yb—O4i94.85 (6)
Ybxvi—V1—V3vii139.801 (13)O1i—Yb—O5viii69.20 (6)
Ybxvi—V1—V348.554 (9)O1i—Yb—O6viii140.09 (6)
Ybxvi—V1—V3viii105.515 (12)O1i—Yb—O7ii70.37 (6)
Ybxvi—V1—V4ix88.618 (10)O1i—Yb—O8viii140.14 (6)
Ybxvi—V1—V4viii51.332 (7)O2i—Yb—O3137.37 (6)
V1i—V1—V2ix120.992 (13)O2i—Yb—O4i72.73 (6)
V1i—V1—V2i107.934 (13)O2i—Yb—O5viii142.02 (6)
V1i—V1—V3vii59.657 (11)O2i—Yb—O6viii75.34 (6)
V1i—V1—V3112.608 (14)O2i—Yb—O7ii70.90 (6)
V1i—V1—V3viii54.978 (11)O2i—Yb—O8viii118.09 (6)
V1i—V1—V4ix99.407 (12)O3—Yb—O4i69.03 (6)
V1i—V1—V4viii131.943 (14)O3—Yb—O5viii71.00 (6)
V2ix—V1—V2i126.296 (13)O3—Yb—O6viii139.99 (6)
V2ix—V1—V3vii120.685 (15)O3—Yb—O7ii133.55 (5)
V2ix—V1—V369.442 (12)O3—Yb—O8viii68.86 (6)
V2ix—V1—V3viii93.330 (13)O4i—Yb—O5viii139.90 (6)
V2ix—V1—V4ix50.062 (10)O4i—Yb—O6viii117.24 (6)
V2ix—V1—V4viii103.654 (12)O4i—Yb—O7ii139.32 (6)
V2i—V1—V3vii66.268 (11)O4i—Yb—O8viii74.90 (6)
V2i—V1—V3112.050 (13)O5viii—Yb—O6viii95.62 (6)
V2i—V1—V3viii134.928 (14)O5viii—Yb—O7ii71.37 (6)
V2i—V1—V4ix104.073 (12)O5viii—Yb—O8viii93.83 (6)
V2i—V1—V4viii46.884 (9)O6viii—Yb—O7ii69.80 (6)
V3vii—V1—V3169.093 (17)O6viii—Yb—O8viii74.90 (6)
V3vii—V1—V3viii114.635 (15)O7ii—Yb—O8viii139.71 (6)
V3vii—V1—V4ix70.745 (12)O1ix—V1—O397.66 (7)
V3vii—V1—V4viii112.994 (14)O1ix—V1—O4101.32 (7)
V3—V1—V3viii58.205 (12)O1ix—V1—O4i171.39 (7)
V3—V1—V4ix119.504 (14)O1ix—V1—O5ix99.73 (7)
V3—V1—V4viii65.459 (11)O1ix—V1—O8viii86.83 (7)
V3viii—V1—V4ix119.017 (14)O3—V1—O4151.91 (7)
V3viii—V1—V4viii109.470 (13)O3—V1—O4i81.20 (7)
V4ix—V1—V4viii124.050 (13)O3—V1—O5ix97.76 (7)
Ybxvii—V2—Ybi115.775 (10)O3—V1—O8viii81.07 (7)
Ybxvii—V2—Ybxviii134.423 (10)O4—V1—O4i76.93 (6)
Ybxvii—V2—Ybxix97.031 (8)O4—V1—O5ix99.20 (7)
Ybxvii—V2—V1xi127.273 (12)O4—V1—O8viii79.53 (6)
Ybxvii—V2—V1i69.188 (9)O4i—V1—O5ix88.88 (7)
Ybxvii—V2—V2x80.720 (10)O4i—V1—O8viii84.57 (6)
Ybxvii—V2—V3xi166.709 (12)O5ix—V1—O8viii173.44 (7)
Ybxvii—V2—V3viii51.131 (7)O1—V2—O2xi96.84 (7)
Ybxvii—V2—V4vii112.547 (13)O1—V2—O3i88.78 (7)
Ybxvii—V2—V463.131 (10)O1—V2—O6xi95.75 (7)
Ybxvii—V2—V4xii58.378 (9)O1—V2—O6v176.99 (7)
Ybi—V2—Ybxviii93.658 (8)O1—V2—O7viii99.07 (7)
Ybi—V2—Ybxix130.927 (10)O2xi—V2—O3i173.52 (7)
Ybi—V2—V1xi74.149 (9)O2xi—V2—O6xi96.37 (7)
Ybi—V2—V1i51.128 (7)O2xi—V2—O6v81.39 (7)
Ybi—V2—V2x125.372 (13)O2xi—V2—O7viii85.23 (7)
Ybi—V2—V3xi51.862 (8)O3i—V2—O6xi86.23 (7)
Ybi—V2—V3viii69.879 (8)O3i—V2—O6v93.13 (7)
Ybi—V2—V4vii63.861 (10)O3i—V2—O7viii90.72 (7)
Ybi—V2—V4114.857 (13)O6xi—V2—O6v82.06 (7)
Ybi—V2—V4xii174.026 (14)O6xi—V2—O7viii164.80 (7)
Ybxviii—V2—Ybxix86.970 (7)O6v—V2—O7viii83.25 (7)
Ybxviii—V2—V1xi92.665 (10)O1ix—V3—O4viii172.68 (7)
Ybxviii—V2—V1i113.664 (10)O1ix—V3—O5xiii82.97 (7)
Ybxviii—V2—V2x53.703 (8)O1ix—V3—O786.95 (7)
Ybxviii—V2—V3xi56.866 (7)O1ix—V3—O897.25 (6)
Ybxviii—V2—V3viii159.389 (11)O1ix—V3—O8viii87.65 (7)
Ybxviii—V2—V4vii49.099 (9)O4viii—V3—O5xiii89.74 (7)
Ybxviii—V2—V4135.759 (12)O4viii—V3—O793.37 (7)
Ybxviii—V2—V4xii91.783 (10)O4viii—V3—O882.75 (7)
Ybxix—V2—V1xi56.828 (8)O4viii—V3—O8viii99.64 (7)
Ybxix—V2—V1i159.363 (11)O5xiii—V3—O787.40 (7)
Ybxix—V2—V2x93.733 (10)O5xiii—V3—O895.36 (6)
Ybxix—V2—V3xi90.157 (9)O5xiii—V3—O8viii170.61 (7)
Ybxix—V2—V3viii113.063 (10)O7—V3—O8175.22 (7)
Ybxix—V2—V4vii136.057 (12)O7—V3—O8viii92.48 (7)
Ybxix—V2—V448.800 (8)O8—V3—O8viii85.43 (7)
Ybxix—V2—V4xii51.831 (8)O2xi—V4—O2vi81.18 (7)
V1xi—V2—V1i118.735 (12)O2xi—V4—O3viii175.39 (7)
V1xi—V2—V2x138.390 (14)O2xi—V4—O593.27 (7)
V1xi—V2—V3xi49.102 (9)O2xi—V4—O6xiv88.16 (7)
V1xi—V2—V3viii94.485 (11)O2xi—V4—O7viii86.52 (7)
V1xi—V2—V4vii117.283 (14)O2vi—V4—O3viii96.38 (7)
V1xi—V2—V466.092 (12)O2vi—V4—O5171.62 (7)
V1xi—V2—V4xii108.075 (13)O2vi—V4—O6xiv81.97 (7)
V1i—V2—V2x98.840 (12)O2vi—V4—O7viii85.87 (7)
V1i—V2—V3xi100.702 (11)O3viii—V4—O588.71 (7)
V1i—V2—V3viii46.366 (9)O3viii—V4—O6xiv87.63 (7)
V1i—V2—V4vii64.579 (11)O3viii—V4—O7viii97.23 (7)
V1i—V2—V4110.573 (13)O5—V4—O6xiv91.63 (7)
V1i—V2—V4xii124.070 (14)O5—V4—O7viii100.12 (7)
V2x—V2—V3xi110.056 (13)O6xiv—V4—O7viii167.35 (7)
Symmetry codes: (i) x+1, y+1, z; (ii) x+1/2, y+3/2, z1/2; (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, z1/2; (vi) x+1/2, y+1/2, z+1/2; (vii) x, y, z1; (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, y1/2, z+1/2; (xii) x+1, y, z+1; (xiii) x+1/2, y+1/2, z+3/2; (xiv) x+1/2, y1/2, z+3/2; (xv) x1/2, y+3/2, z1/2; (xvi) x1/2, y+3/2, z+1/2; (xvii) x+3/2, y1/2, z+1/2; (xviii) x1/2, y+1/2, z1/2; (xix) x1/2, y+1/2, z+1/2; (xx) x, y, z+1.
(IV) top
Crystal data top
O8V4YbF(000) = 904
Mr = 504.8LeBail fit of synchrotrn powder data.
Monoclinic, P21/nDx = 6.053 Mg m3
Hall symbol: -P 2yabcSynchrotron radiation, λ = 0.47686 Å
a = 9.0675 (3) ÅCell parameters from 378 reflections
b = 10.6264 (4) Åθ = 1–10°
c = 5.7473 (3) ŵ = 7.90 mm1
β = 90.190 (2)°T = 100 K
V = 553.78 (4) Å3Irregular, black
Z = 40.11 × 0.10 × 0.09 mm
Data collection top
Huber 4-circle
diffractometer
6567 independent reflections
Radiation source: Hasylab; D35646 reflections with I > 3σ(I)
Detector resolution: Mar-CCD165 pixels mm-1Rint = 0.050
$πhi$–scansθmax = 32.6°, θmin = 2°
Absorption correction: numerical
Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus)
h = 2020
Tmin = 0.707, Tmax = 0.785k = 2318
54937 measured reflectionsl = 1212
Refinement top
Refinement on FWeighting 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) = 0.036Δρmax = 5.55 e Å3
S = 1.92Δρmin = 8.82 e Å3
6567 reflectionsExtinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
119 parametersExtinction coefficient: 2552 (282)
Special details top

Experimental. Hasylab, Beamline D3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Yb0.758051 (10)0.657602 (8)0.126199 (15)0.002486 (18
V10.42681 (4)0.61862 (3)0.12330 (6)0.00272 (6)
V20.40833 (4)0.09728 (3)0.12454 (6)0.00271 (6)
V30.45535 (4)0.61083 (3)0.62663 (6)0.00292 (6)
V40.41837 (4)0.10582 (3)0.62571 (6)0.00286 (6)
O10.20321 (19)0.15876 (15)0.1138 (3)0.0046 (3)
O20.12024 (18)0.47306 (15)0.1175 (3)0.0039 (3)
O30.53979 (19)0.77643 (15)0.1209 (3)0.0040 (3)
O40.41343 (18)0.43114 (15)0.1162 (3)0.0042 (3)
O50.20816 (19)0.15829 (15)0.6380 (3)0.0050 (3)
O60.11365 (18)0.47497 (15)0.6337 (3)0.0042 (3)
O70.51243 (19)0.78839 (15)0.6273 (3)0.0045 (3)
O80.41503 (18)0.42737 (15)0.6331 (3)0.0044 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Yb0.00238 (3)0.00199 (3)0.00308 (3)0.00009 (2)0.000263 (19)0.000106 (19)
V10.00284 (10)0.00186 (10)0.00346 (10)0.00021 (8)0.00024 (8)0.00012 (8)
V20.00304 (10)0.00210 (10)0.00299 (10)0.00030 (8)0.00016 (8)0.00014 (8)
V30.00334 (10)0.00225 (10)0.00315 (10)0.00005 (8)0.00042 (8)0.00016 (8)
V40.00349 (10)0.00193 (10)0.00315 (10)0.00001 (8)0.00015 (8)0.00004 (8)
O10.0043 (5)0.0049 (5)0.0046 (5)0.0005 (4)0.0003 (4)0.0001 (4)
O20.0043 (5)0.0035 (5)0.0039 (5)0.0001 (4)0.0004 (4)0.0006 (4)
O30.0049 (5)0.0029 (5)0.0043 (5)0.0005 (4)0.0005 (4)0.0002 (4)
O40.0039 (5)0.0043 (5)0.0044 (5)0.0002 (4)0.0005 (4)0.0001 (4)
O50.0051 (5)0.0047 (5)0.0052 (5)0.0005 (4)0.0006 (4)0.0000 (4)
O60.0044 (5)0.0034 (5)0.0048 (5)0.0003 (4)0.0005 (4)0.0006 (4)
O70.0049 (5)0.0032 (5)0.0054 (5)0.0003 (4)0.0004 (4)0.0001 (4)
O80.0043 (5)0.0042 (5)0.0045 (5)0.0001 (4)0.0000 (4)0.0003 (4)
Geometric parameters (Å, º) top
Yb—V13.0319 (4)Yb—O1i2.4160 (16)
Yb—V1i3.6695 (4)Yb—O2i2.2623 (16)
Yb—V1ii4.0472 (4)Yb—O32.3477 (17)
Yb—V1iii4.0162 (4)Yb—O4i2.2877 (16)
Yb—V2iv3.4038 (4)Yb—O5viii2.3992 (17)
Yb—V2i3.3351 (4)Yb—O6viii2.2872 (16)
Yb—V2v4.1870 (4)Yb—O7ii2.3769 (17)
Yb—V2vi4.1677 (4)Yb—O8viii2.2817 (17)
Yb—V3vii3.9965 (4)V1—O1ix1.9664 (18)
Yb—V34.0131 (4)V1—O31.9652 (17)
Yb—V3viii3.7306 (4)V1—O41.9963 (17)
Yb—V3ii3.0423 (4)V1—O4i2.0703 (17)
Yb—V4iv3.3221 (4)V1—O5ix1.9793 (18)
Yb—V4viii3.3056 (4)V1—O8viii2.0596 (17)
Yb—V4v3.1541 (4)V2—O11.9721 (17)
V1—V1i3.1840 (5)V2—O2xi2.0024 (16)
V1—V2ix3.3787 (5)V2—O3i2.0041 (17)
V1—V2i3.6595 (5)V2—O6xi1.9824 (17)
V1—V3vii2.8683 (5)V2—O6v2.0144 (17)
V1—V32.9047 (5)V2—O7viii2.0048 (17)
V1—V3viii3.0236 (5)V3—O1ix2.0550 (18)
V1—V4ix3.4399 (5)V3—O4viii1.9461 (17)
V1—V4viii3.5515 (5)V3—O5xiii2.0728 (18)
V2—V2x3.0172 (5)V3—O71.9565 (17)
V2—V3xi3.5983 (5)V3—O81.9839 (17)
V2—V3viii3.6307 (5)V3—O8viii1.9459 (17)
V2—V4vii2.8701 (5)V4—O2xi2.0158 (16)
V2—V42.8829 (5)V4—O2vi2.0140 (17)
V2—V4xii3.0286 (5)V4—O3viii1.9564 (17)
V3—V3viii2.8863 (5)V4—O51.9874 (18)
V3—V4xiii3.6802 (5)V4—O6xiv1.9829 (17)
V3—V4viii3.5344 (5)V4—O7viii1.9438 (17)
V4—V4xii3.0580 (5)
V1—Yb—V1i55.760 (9)V2x—V2—V3viii125.794 (14)
V1—Yb—V1ii116.952 (9)V2x—V2—V4vii61.859 (12)
V1—Yb—V1iii117.381 (9)V2x—V2—V4118.686 (15)
V1—Yb—V2iv148.826 (9)V2x—V2—V4xii56.684 (11)
V1—Yb—V2i69.980 (9)V3xi—V2—V3viii115.733 (12)
V1—Yb—V2v103.443 (9)V3xi—V2—V4vii68.287 (12)
V1—Yb—V2vi103.686 (9)V3xi—V2—V4115.177 (14)
V1—Yb—V3vii45.660 (9)V3xi—V2—V4xii133.793 (14)
V1—Yb—V346.144 (9)V3viii—V2—V4vii110.766 (14)
V1—Yb—V3viii51.870 (9)V3viii—V2—V464.533 (11)
V1—Yb—V3ii133.871 (10)V3viii—V2—V4xii104.280 (13)
V1—Yb—V4iv148.356 (10)V4vii—V2—V4174.879 (17)
V1—Yb—V4viii68.007 (9)V4vii—V2—V4xii118.543 (15)
V1—Yb—V4v109.590 (10)V4—V2—V4xii62.245 (12)
V1i—Yb—V1ii111.360 (8)Yb—V3—Ybxx91.705 (8)
V1i—Yb—V1iii157.528 (8)Yb—V3—Ybviii136.423 (10)
V1i—Yb—V2iv114.709 (8)Yb—V3—Ybxvi107.628 (10)
V1i—Yb—V2i104.506 (9)Yb—V3—V148.822 (9)
V1i—Yb—V2v50.415 (8)Yb—V3—V1xx140.702 (14)
V1i—Yb—V2vi84.066 (8)Yb—V3—V1viii101.483 (12)
V1i—Yb—V3vii46.215 (8)Yb—V3—V2ix110.212 (11)
V1i—Yb—V382.437 (8)Yb—V3—V2viii86.774 (9)
V1i—Yb—V3viii45.601 (8)Yb—V3—V3viii62.997 (10)
V1i—Yb—V3ii156.227 (9)Yb—V3—V4xiii155.756 (12)
V1i—Yb—V4iv95.749 (9)Yb—V3—V4viii51.474 (8)
V1i—Yb—V4viii123.766 (9)Ybxx—V3—Ybviii100.217 (8)
V1i—Yb—V4v59.981 (9)Ybxx—V3—Ybxvi107.606 (10)
V1ii—Yb—V1iii90.920 (7)Ybxx—V3—V1140.413 (14)
V1ii—Yb—V2iv94.221 (8)Ybxx—V3—V1xx49.115 (9)
V1ii—Yb—V2i53.422 (8)Ybxx—V3—V1viii61.185 (9)
V1ii—Yb—V2v76.328 (7)Ybxx—V3—V2ix156.855 (12)
V1ii—Yb—V2vi138.511 (7)Ybxx—V3—V2viii51.587 (7)
V1ii—Yb—V3vii79.654 (7)Ybxx—V3—V3viii105.703 (12)
V1ii—Yb—V3147.747 (8)Ybxx—V3—V4xiii110.794 (11)
V1ii—Yb—V3viii156.785 (8)Ybxx—V3—V4viii88.062 (10)
V1ii—Yb—V3ii45.702 (8)Ybviii—V3—Ybxvi108.240 (10)
V1ii—Yb—V4iv56.599 (8)Ybviii—V3—V1110.879 (13)
V1ii—Yb—V4viii92.627 (8)Ybviii—V3—V1xx66.075 (10)
V1ii—Yb—V4v110.210 (9)Ybviii—V3—V1viii52.072 (9)
V1iii—Yb—V2iv58.407 (8)Ybviii—V3—V2ix69.288 (9)
V1iii—Yb—V2i90.899 (8)Ybviii—V3—V2viii132.811 (12)
V1iii—Yb—V2v138.482 (7)Ybviii—V3—V3viii73.426 (10)
V1iii—Yb—V2vi76.879 (7)Ybviii—V3—V4xiii50.373 (7)
V1iii—Yb—V3vii147.548 (8)Ybviii—V3—V4viii167.638 (13)
V1iii—Yb—V379.827 (7)Ybxvi—V3—V185.739 (12)
V1iii—Yb—V3viii112.256 (8)Ybxvi—V3—V1xx85.555 (12)
V1iii—Yb—V3ii45.400 (9)Ybxvi—V3—V1viii149.262 (15)
V1iii—Yb—V4iv94.193 (8)Ybxvi—V3—V2ix59.597 (9)
V1iii—Yb—V4viii55.015 (8)Ybxvi—V3—V2viii60.578 (9)
V1iii—Yb—V4v110.584 (9)Ybxvi—V3—V3viii145.652 (15)
V2iv—Yb—V2i136.808 (9)Ybxvi—V3—V4xiii57.982 (8)
V2iv—Yb—V2v82.945 (8)Ybxvi—V3—V4viii60.127 (9)
V2iv—Yb—V2vi45.596 (8)V1—V3—V1xx169.198 (18)
V2iv—Yb—V3vii152.406 (8)V1—V3—V1viii121.771 (15)
V2iv—Yb—V3106.502 (8)V1—V3—V2ix61.516 (11)
V2iv—Yb—V3viii99.040 (8)V1—V3—V2viii113.393 (14)
V2iv—Yb—V3ii68.295 (9)V1—V3—V3viii62.948 (12)
V2iv—Yb—V4iv50.744 (9)V1—V3—V4xiii107.847 (14)
V2iv—Yb—V4viii113.102 (9)V1—V3—V4viii66.108 (11)
V2iv—Yb—V4v54.850 (9)V1xx—V3—V1viii65.361 (12)
V2i—Yb—V2v110.821 (8)V1xx—V3—V2ix108.350 (14)
V2i—Yb—V2vi161.969 (8)V1xx—V3—V2viii67.362 (11)
V2i—Yb—V3vii58.540 (8)V1xx—V3—V3viii123.492 (16)
V2i—Yb—V395.562 (8)V1xx—V3—V4xiii61.919 (11)
V2i—Yb—V3viii121.820 (9)V1xx—V3—V4viii114.471 (14)
V2i—Yb—V3ii68.519 (9)V1viii—V3—V2ix118.709 (14)
V2i—Yb—V4iv109.875 (9)V1viii—V3—V2viii112.481 (14)
V2i—Yb—V4viii51.212 (9)V1viii—V3—V3viii58.823 (12)
V2i—Yb—V4v154.230 (9)V1viii—V3—V4xiii97.404 (13)
V2v—Yb—V2vi86.929 (7)V1viii—V3—V4viii140.138 (15)
V2v—Yb—V3vii69.461 (7)V2ix—V3—V2viii120.171 (13)
V2v—Yb—V3129.666 (7)V2ix—V3—V3viii91.333 (13)
V2v—Yb—V3viii86.445 (8)V2ix—V3—V4xiii46.431 (9)
V2v—Yb—V3ii109.332 (9)V2ix—V3—V4viii99.626 (12)
V2v—Yb—V4iv45.799 (8)V2viii—V3—V3viii143.143 (15)
V2v—Yb—V4viii161.447 (8)V2viii—V3—V4xiii99.948 (12)
V2v—Yb—V4v43.471 (8)V2viii—V3—V4viii47.428 (9)
V2vi—Yb—V3vii129.428 (7)V3viii—V3—V4xiii116.323 (14)
V2vi—Yb—V369.502 (7)V3viii—V3—V4viii113.360 (14)
V2vi—Yb—V3viii53.860 (7)V4xiii—V3—V4viii118.101 (13)
V2vi—Yb—V3ii109.520 (9)Ybxvii—V4—Ybviii119.430 (11)
V2vi—Yb—V4iv84.527 (8)Ybxvii—V4—Ybxix123.718 (11)
V2vi—Yb—V4viii110.818 (8)Ybxvii—V4—V1xi128.013 (12)
V2vi—Yb—V4v43.468 (8)Ybxvii—V4—V1viii72.057 (9)
V3vii—Yb—V391.705 (8)Ybxvii—V4—V266.095 (10)
V3vii—Yb—V3viii79.783 (8)Ybxvii—V4—V2xx118.135 (14)
V3vii—Yb—V3ii120.241 (9)Ybxvii—V4—V2xii82.354 (11)
V3vii—Yb—V4iv105.770 (8)Ybxvii—V4—V3xiv169.074 (13)
V3vii—Yb—V4viii94.145 (8)Ybxvii—V4—V3viii52.571 (8)
V3vii—Yb—V4v101.796 (9)Ybxvii—V4—V4xii59.084 (9)
V3—Yb—V3viii43.577 (8)Ybviii—V4—Ybxix116.800 (11)
V3—Yb—V3ii120.210 (9)Ybviii—V4—V1xi73.049 (9)
V3—Yb—V4iv154.025 (8)Ybviii—V4—V1viii52.334 (8)
V3—Yb—V4viii56.767 (8)Ybviii—V4—V2116.179 (13)
V3—Yb—V4v101.949 (9)Ybviii—V4—V2xx64.925 (10)
V3viii—Yb—V3ii157.502 (9)Ybviii—V4—V2xii126.057 (13)
V3viii—Yb—V4iv119.952 (8)Ybviii—V4—V3xiv51.291 (8)
V3viii—Yb—V4viii99.492 (9)Ybviii—V4—V3viii71.759 (9)
V3viii—Yb—V4v63.985 (9)Ybviii—V4—V4xii177.235 (14)
V3ii—Yb—V4iv67.301 (9)Ybxix—V4—V1xi67.466 (9)
V3ii—Yb—V4viii70.727 (9)Ybxix—V4—V1viii155.914 (13)
V3ii—Yb—V4v116.538 (10)Ybxix—V4—V287.704 (12)
V4iv—Yb—V4viii138.016 (9)Ybxix—V4—V2xx87.416 (12)
V4iv—Yb—V4v56.282 (9)Ybxix—V4—V2xii66.771 (10)
V4viii—Yb—V4v154.027 (9)Ybxix—V4—V3xiv65.642 (9)
Yb—V1—Ybi124.240 (11)Ybxix—V4—V3viii155.007 (13)
Yb—V1—Ybxv107.344 (10)Ybxix—V4—V4xii64.635 (10)
Yb—V1—Ybxvi107.019 (10)V1xi—V4—V1viii119.621 (13)
Yb—V1—V1i72.316 (10)V1xi—V4—V263.890 (12)
Yb—V1—V2ix154.052 (14)V1xi—V4—V2xx112.644 (14)
Yb—V1—V2i58.902 (8)V1xi—V4—V2xii134.052 (14)
Yb—V1—V3vii85.225 (12)V1xi—V4—V3xiv47.363 (9)
Yb—V1—V385.034 (12)V1xi—V4—V3viii95.231 (12)
Yb—V1—V3viii76.059 (11)V1xi—V4—V4xii105.887 (13)
Yb—V1—V4ix155.182 (14)V1viii—V4—V2116.288 (14)
Yb—V1—V4viii59.660 (9)V1viii—V4—V2xx68.540 (12)
Ybi—V1—Ybxv91.327 (8)V1viii—V4—V2xii101.027 (13)
Ybi—V1—Ybxvi125.152 (10)V1viii—V4—V3xiv101.198 (12)
Ybi—V1—V1i51.925 (8)V1viii—V4—V3viii48.400 (9)
Ybi—V1—V2ix72.758 (9)V1viii—V4—V4xii127.370 (14)
Ybi—V1—V2i133.982 (12)V2—V4—V2xx174.879 (17)
Ybi—V1—V3vii68.324 (10)V2—V4—V2xii117.755 (15)
Ybi—V1—V3113.920 (13)V2—V4—V3xiv111.150 (14)
Ybi—V1—V3viii72.600 (10)V2—V4—V3viii68.040 (12)
Ybi—V1—V4ix52.553 (8)V2—V4—V4xii61.215 (12)
Ybi—V1—V4viii176.099 (13)V2xx—V4—V2xii61.457 (12)
Ybxv—V1—Ybxvi90.920 (7)V2xx—V4—V3xiv65.281 (11)
Ybxv—V1—V1i108.093 (11)V2xx—V4—V3viii116.629 (14)
Ybxv—V1—V2ix90.215 (10)V2xx—V4—V4xii117.760 (15)
Ybxv—V1—V2i52.397 (7)V2xii—V4—V3xiv107.699 (13)
Ybxv—V1—V3vii49.046 (9)V2xii—V4—V3viii129.290 (15)
Ybxv—V1—V3139.270 (13)V2xii—V4—V4xii56.541 (11)
Ybxv—V1—V3viii161.590 (13)V3xiv—V4—V3viii116.510 (12)
Ybxv—V1—V4ix51.936 (8)V3xiv—V4—V4xii129.885 (14)
Ybxv—V1—V4viii87.128 (9)V3viii—V4—V4xii105.938 (13)
Ybxvi—V1—V1i160.433 (13)O1i—Yb—O2i94.02 (6)
Ybxvi—V1—V2ix52.438 (8)O1i—Yb—O371.48 (6)
Ybxvi—V1—V2i87.086 (9)O1i—Yb—O4i94.88 (6)
Ybxvi—V1—V3vii139.751 (13)O1i—Yb—O5viii69.23 (6)
Ybxvi—V1—V348.559 (9)O1i—Yb—O6viii140.11 (6)
Ybxvi—V1—V3viii105.558 (12)O1i—Yb—O7ii70.34 (6)
Ybxvi—V1—V4ix88.550 (10)O1i—Yb—O8viii140.11 (6)
Ybxvi—V1—V4viii51.344 (8)O2i—Yb—O3137.30 (6)
V1i—V1—V2ix120.973 (14)O2i—Yb—O4i72.66 (6)
V1i—V1—V2i107.968 (13)O2i—Yb—O5viii142.06 (6)
V1i—V1—V3vii59.673 (12)O2i—Yb—O6viii75.36 (6)
V1i—V1—V3112.635 (15)O2i—Yb—O7ii71.00 (6)
V1i—V1—V3viii54.966 (11)O2i—Yb—O8viii118.06 (6)
V1i—V1—V4ix99.413 (13)O3—Yb—O4i69.05 (6)
V1i—V1—V4viii131.976 (14)O3—Yb—O5viii71.03 (6)
V2ix—V1—V2i126.261 (13)O3—Yb—O6viii140.01 (6)
V2ix—V1—V3vii120.609 (15)O3—Yb—O7ii133.49 (6)
V2ix—V1—V369.403 (12)O3—Yb—O8viii68.85 (6)
V2ix—V1—V3viii93.378 (13)O4i—Yb—O5viii139.95 (6)
V2ix—V1—V4ix50.013 (10)O4i—Yb—O6viii117.18 (6)
V2ix—V1—V4viii103.651 (12)O4i—Yb—O7ii139.36 (6)
V2i—V1—V3vii66.303 (11)O4i—Yb—O8viii74.85 (6)
V2i—V1—V3112.085 (14)O5viii—Yb—O6viii95.60 (6)
V2i—V1—V3viii134.920 (15)O5viii—Yb—O7ii71.30 (6)
V2i—V1—V4ix104.062 (12)O5viii—Yb—O8viii93.84 (6)
V2i—V1—V4viii46.879 (9)O6viii—Yb—O7ii69.85 (6)
V3vii—V1—V3169.198 (18)O6viii—Yb—O8viii74.93 (6)
V3vii—V1—V3viii114.639 (15)O7ii—Yb—O8viii139.76 (6)
V3vii—V1—V4ix70.718 (12)O1ix—V1—O397.71 (7)
V3vii—V1—V4viii113.026 (14)O1ix—V1—O4101.28 (7)
V3—V1—V3viii58.229 (12)O1ix—V1—O4i171.47 (7)
V3—V1—V4ix119.416 (15)O1ix—V1—O5ix99.55 (7)
V3—V1—V4viii65.492 (11)O1ix—V1—O8viii86.97 (7)
V3viii—V1—V4ix119.044 (14)O3—V1—O4152.02 (7)
V3viii—V1—V4viii109.466 (14)O3—V1—O4i81.22 (7)
V4ix—V1—V4viii124.020 (13)O3—V1—O5ix97.69 (7)
Ybxvii—V2—Ybi115.778 (10)O3—V1—O8viii81.11 (7)
Ybxvii—V2—Ybxviii134.404 (10)O4—V1—O4i76.95 (7)
Ybxvii—V2—Ybxix97.055 (8)O4—V1—O5ix99.19 (7)
Ybxvii—V2—V1xi127.316 (12)O4—V1—O8viii79.59 (7)
Ybxvii—V2—V1i69.196 (9)O4i—V1—O5ix88.98 (7)
Ybxvii—V2—V2x80.701 (11)O4i—V1—O8viii84.50 (7)
Ybxvii—V2—V3xi166.742 (13)O5ix—V1—O8viii173.48 (7)
Ybxvii—V2—V3viii51.126 (8)O1—V2—O2xi96.73 (7)
Ybxvii—V2—V4vii112.543 (13)O1—V2—O3i88.83 (7)
Ybxvii—V2—V463.160 (10)O1—V2—O6xi95.81 (7)
Ybxvii—V2—V4xii58.379 (9)O1—V2—O6v176.93 (7)
Ybi—V2—Ybxviii93.681 (8)O1—V2—O7viii99.05 (7)
Ybi—V2—Ybxix130.917 (10)O2xi—V2—O3i173.58 (7)
Ybi—V2—V1xi74.140 (10)O2xi—V2—O6xi96.27 (7)
Ybi—V2—V1i51.118 (8)O2xi—V2—O6v81.44 (7)
Ybi—V2—V2x125.402 (13)O2xi—V2—O7viii85.40 (7)
Ybi—V2—V3xi51.884 (8)O3i—V2—O6xi86.29 (7)
Ybi—V2—V3viii69.873 (9)O3i—V2—O6v93.13 (7)
Ybi—V2—V4vii63.863 (10)O3i—V2—O7viii90.60 (7)
Ybi—V2—V4114.826 (13)O6xi—V2—O6v81.97 (7)
Ybi—V2—V4xii174.032 (14)O6xi—V2—O7viii164.75 (7)
Ybxviii—V2—Ybxix86.929 (7)O6v—V2—O7viii83.30 (7)
Ybxviii—V2—V1xi92.631 (10)O1ix—V3—O4viii172.80 (7)
Ybxviii—V2—V1i113.683 (10)O1ix—V3—O5xiii83.01 (7)
Ybxviii—V2—V2x53.704 (9)O1ix—V3—O786.95 (7)
Ybxviii—V2—V3xi56.852 (8)O1ix—V3—O897.33 (7)
Ybxviii—V2—V3viii159.386 (12)O1ix—V3—O8viii87.64 (7)
Ybxviii—V2—V4vii49.116 (9)O4viii—V3—O5xiii89.82 (7)
Ybxviii—V2—V4135.744 (13)O4viii—V3—O793.35 (7)
Ybxviii—V2—V4xii91.751 (11)O4viii—V3—O882.69 (7)
Ybxix—V2—V1xi56.827 (8)O4viii—V3—O8viii99.53 (7)
Ybxix—V2—V1i159.385 (12)O5xiii—V3—O787.35 (7)
Ybxix—V2—V2x93.702 (11)O5xiii—V3—O895.42 (7)
Ybxix—V2—V3xi90.128 (9)O5xiii—V3—O8viii170.64 (7)
Ybxix—V2—V3viii113.113 (10)O7—V3—O8175.14 (7)
Ybxix—V2—V4vii136.034 (13)O7—V3—O8viii92.42 (7)
Ybxix—V2—V448.826 (9)O8—V3—O8viii85.48 (7)
Ybxix—V2—V4xii51.847 (9)O2xi—V4—O2vi81.27 (7)
V1xi—V2—V1i118.733 (13)O2xi—V4—O3viii175.33 (7)
V1xi—V2—V2x138.357 (15)O2xi—V4—O593.24 (7)
V1xi—V2—V3xi49.081 (10)O2xi—V4—O6xiv88.13 (7)
V1xi—V2—V3viii94.545 (12)O2xi—V4—O7viii86.66 (7)
V1xi—V2—V4vii117.250 (15)O2vi—V4—O3viii96.29 (7)
V1xi—V2—V466.096 (12)O2vi—V4—O5171.68 (7)
V1xi—V2—V4xii108.093 (14)O2vi—V4—O6xiv81.93 (7)
V1i—V2—V2x98.869 (13)O2vi—V4—O7viii85.84 (7)
V1i—V2—V3xi100.709 (12)O3viii—V4—O588.73 (7)
V1i—V2—V3viii46.335 (9)O3viii—V4—O6xiv87.59 (7)
V1i—V2—V4vii64.581 (11)O3viii—V4—O7viii97.17 (7)
V1i—V2—V4110.570 (14)O5—V4—O6xiv91.69 (7)
V1i—V2—V4xii124.081 (14)O5—V4—O7viii100.15 (7)
V2x—V2—V3xi110.045 (13)O6xiv—V4—O7viii167.31 (7)
Symmetry codes: (i) x+1, y+1, z; (ii) x+1/2, y+3/2, z1/2; (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, z1/2; (vi) x+1/2, y+1/2, z+1/2; (vii) x, y, z1; (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, y1/2, z+1/2; (xii) x+1, y, z+1; (xiii) x+1/2, y+1/2, z+3/2; (xiv) x+1/2, y1/2, z+3/2; (xv) x1/2, y+3/2, z1/2; (xvi) x1/2, y+3/2, z+1/2; (xvii) x+3/2, y1/2, z+1/2; (xviii) x1/2, y+1/2, z1/2; (xix) x1/2, y+1/2, z+1/2; (xx) x, y, z+1.
(V) top
Crystal data top
O8V4YbF(000) = 904
Mr = 504.8LeBail fit of synchrotrn powder data.
Monoclinic, P21/nDx = 6.055 Mg m3
Hall symbol: -P 2yabcSynchrotron radiation, λ = 0.47686 Å
a = 9.0616 (5) ÅCell parameters from 378 reflections
b = 10.6244 (8) Åθ = 1–10°
c = 5.7497 (4) ŵ = 7.91 mm1
β = 90.292 (5)°T = 65 K
V = 553.54 (6) Å3Irregular, black
Z = 40.11 × 0.10 × 0.09 mm
Data collection top
Huber 4-circle
diffractometer
5954 independent reflections
Radiation source: Hasylab; D35290 reflections with I > 3σ(I)
Detector resolution: Mar-CCD165 pixels mm-1Rint = 0.042
$πhi$–scansθmax = 31.8°, θmin = 2°
Absorption correction: numerical
Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus)
h = 1320
Tmin = 0.708, Tmax = 0.785k = 2120
53984 measured reflectionsl = 1112
Refinement top
Refinement on FWeighting 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) = 0.044Δρmax = 4.52 e Å3
S = 1.54Δρmin = 6.15 e Å3
5954 reflectionsExtinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
119 parametersExtinction coefficient: 2820 (386)
Special details top

Experimental. Hasylab, Beamline D3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Yb0.758248 (10)0.657870 (8)0.125778 (15)0.00205 (2)
V10.42671 (4)0.61890 (3)0.12340 (6)0.00237 (6)
V20.40827 (4)0.09702 (4)0.12460 (6)0.00248 (6)
V30.45615 (4)0.61065 (3)0.62585 (6)0.00247 (6)
V40.41815 (4)0.10580 (4)0.62549 (6)0.00258 (6)
O10.2028 (2)0.15835 (15)0.1131 (3)0.0041 (3)
O20.12029 (19)0.47284 (16)0.1170 (3)0.0036 (3)
O30.5400 (2)0.77656 (16)0.1209 (3)0.0039 (3)
O40.4141 (2)0.43118 (16)0.1163 (3)0.0038 (3)
O50.2079 (2)0.15885 (15)0.6388 (3)0.0048 (3)
O60.11361 (19)0.47468 (16)0.6347 (3)0.0039 (3)
O70.5132 (2)0.78858 (16)0.6259 (3)0.0044 (3)
O80.4147 (2)0.42697 (16)0.6327 (3)0.0040 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Yb0.00219 (4)0.00105 (4)0.00292 (4)0.000057 (19)0.00002 (2)0.000110 (18)
V10.00251 (11)0.00103 (12)0.00357 (10)0.00019 (8)0.00011 (8)0.00012 (8)
V20.00301 (12)0.00145 (12)0.00299 (10)0.00025 (8)0.00006 (9)0.00017 (8)
V30.00321 (11)0.00104 (12)0.00317 (10)0.00004 (8)0.00015 (9)0.00018 (8)
V40.00354 (12)0.00102 (12)0.00320 (10)0.00022 (8)0.00045 (9)0.00011 (8)
O10.0039 (6)0.0036 (6)0.0047 (5)0.0006 (4)0.0004 (4)0.0012 (4)
O20.0043 (5)0.0027 (5)0.0037 (5)0.0008 (4)0.0000 (4)0.0001 (4)
O30.0053 (6)0.0026 (5)0.0037 (5)0.0008 (4)0.0002 (4)0.0001 (4)
O40.0044 (5)0.0024 (5)0.0047 (5)0.0003 (4)0.0004 (4)0.0002 (4)
O50.0052 (6)0.0033 (6)0.0058 (5)0.0002 (4)0.0011 (5)0.0005 (4)
O60.0037 (5)0.0032 (6)0.0050 (5)0.0006 (4)0.0005 (4)0.0007 (4)
O70.0058 (6)0.0018 (5)0.0055 (5)0.0001 (4)0.0008 (4)0.0003 (4)
O80.0046 (5)0.0027 (6)0.0047 (5)0.0000 (4)0.0002 (4)0.0005 (4)
Geometric parameters (Å, º) top
Yb—V13.0326 (4)Yb—O1i2.4141 (17)
Yb—V1i3.6721 (4)Yb—O2i2.2593 (17)
Yb—V1ii4.0427 (4)Yb—O32.3456 (18)
Yb—V1iii4.0121 (4)Yb—O4i2.2910 (17)
Yb—V2iv3.4008 (4)Yb—O5viii2.3904 (17)
Yb—V2i3.3330 (4)Yb—O6viii2.2831 (17)
Yb—V2v4.1863 (4)Yb—O7ii2.3789 (18)
Yb—V2vi4.1675 (4)Yb—O8viii2.2848 (17)
Yb—V3vii3.9910 (4)V1—O1ix1.9666 (19)
Yb—V34.0116 (4)V1—O31.9646 (18)
Yb—V3viii3.7391 (4)V1—O41.9981 (17)
Yb—V3ii3.0437 (4)V1—O4i2.0699 (18)
Yb—V4iv3.3220 (4)V1—O5ix1.980 (2)
Yb—V4viii3.3058 (4)V1—O8viii2.0613 (18)
Yb—V4v3.1538 (4)V2—O11.9731 (19)
V1—V1i3.1906 (5)V2—O2xi2.0046 (17)
V1—V2ix3.3782 (5)V2—O3i2.0059 (17)
V1—V2i3.6606 (5)V2—O6xi1.9869 (17)
V1—V3vii2.8759 (5)V2—O6v2.0112 (18)
V1—V32.9012 (5)V2—O7viii2.0081 (18)
V1—V3viii3.0228 (5)V3—O1ix2.0493 (19)
V1—V4ix3.4332 (5)V3—O4viii1.9393 (17)
V1—V4viii3.5490 (5)V3—O5xiii2.079 (2)
V2—V2x3.0152 (5)V3—O71.9597 (17)
V2—V3xi3.5987 (5)V3—O81.9877 (18)
V2—V3viii3.6327 (5)V3—O8viii1.9381 (18)
V2—V4vii2.8731 (5)V4—O2xi2.0139 (17)
V2—V42.8824 (5)V4—O2vi2.0141 (18)
V2—V4xii3.0264 (5)V4—O3viii1.9561 (17)
V3—V3viii2.8750 (5)V4—O51.989 (2)
V3—V4xiii3.6878 (5)V4—O6xiv1.9822 (17)
V3—V4viii3.5325 (5)V4—O7viii1.9350 (18)
V4—V4xii3.0591 (5)
V1—Yb—V1i55.856 (9)V2x—V2—V3viii125.879 (15)
V1—Yb—V1ii117.036 (9)V2x—V2—V4vii61.802 (12)
V1—Yb—V1iii117.209 (9)V2x—V2—V4118.850 (16)
V1—Yb—V2iv148.657 (10)V2x—V2—V4xii56.791 (12)
V1—Yb—V2i70.027 (10)V3xi—V2—V3viii115.560 (13)
V1—Yb—V2v103.518 (9)V3xi—V2—V4vii68.421 (12)
V1—Yb—V2vi103.536 (9)V3xi—V2—V4114.978 (15)
V1—Yb—V3vii45.872 (9)V3xi—V2—V4xii133.811 (15)
V1—Yb—V346.095 (9)V3viii—V2—V4vii110.768 (14)
V1—Yb—V3viii51.751 (9)V3viii—V2—V464.468 (12)
V1—Yb—V3ii133.945 (10)V3viii—V2—V4xii104.316 (14)
V1—Yb—V4iv148.425 (10)V4vii—V2—V4174.852 (18)
V1—Yb—V4viii67.943 (10)V4vii—V2—V4xii118.593 (16)
V1—Yb—V4v109.503 (10)V4—V2—V4xii62.304 (12)
V1i—Yb—V1ii111.363 (8)Yb—V3—Ybxx91.858 (8)
V1i—Yb—V1iii157.347 (8)Yb—V3—Ybviii136.632 (10)
V1i—Yb—V2iv114.536 (9)Yb—V3—Ybxvi107.641 (10)
V1i—Yb—V2i104.621 (9)Yb—V3—V148.862 (9)
V1i—Yb—V2v50.401 (8)Yb—V3—V1xx140.918 (15)
V1i—Yb—V2vi83.961 (8)Yb—V3—V1viii101.742 (12)
V1i—Yb—V3vii46.234 (8)Yb—V3—V2ix110.266 (11)
V1i—Yb—V382.398 (8)Yb—V3—V2viii86.877 (10)
V1i—Yb—V3viii45.655 (8)Yb—V3—V3viii63.263 (10)
V1i—Yb—V3ii156.182 (9)Yb—V3—V4xiii155.775 (12)
V1i—Yb—V4iv95.688 (9)Yb—V3—V4viii51.500 (8)
V1i—Yb—V4viii123.800 (9)Ybxx—V3—Ybviii100.175 (8)
V1i—Yb—V4v59.821 (9)Ybxx—V3—Ybxvi107.487 (10)
V1ii—Yb—V1iii91.092 (8)Ybxx—V3—V1140.591 (15)
V1ii—Yb—V2iv94.307 (8)Ybxx—V3—V1xx49.191 (10)
V1ii—Yb—V2i53.473 (8)Ybxx—V3—V1viii61.315 (10)
V1ii—Yb—V2v76.264 (7)Ybxx—V3—V2ix156.621 (12)
V1ii—Yb—V2vi138.581 (8)Ybxx—V3—V2viii51.587 (8)
V1ii—Yb—V3vii79.587 (8)Ybxx—V3—V3viii105.961 (13)
V1ii—Yb—V3147.889 (8)Ybxx—V3—V4xiii110.570 (11)
V1ii—Yb—V3viii156.827 (8)Ybxx—V3—V4viii88.051 (10)
V1ii—Yb—V3ii45.689 (9)Ybviii—V3—Ybxvi108.015 (11)
V1ii—Yb—V4iv56.605 (8)Ybviii—V3—V1110.982 (13)
V1ii—Yb—V4viii92.791 (8)Ybviii—V3—V1xx65.942 (10)
V1ii—Yb—V4v110.215 (9)Ybviii—V3—V1viii51.985 (9)
V1iii—Yb—V2iv58.490 (8)Ybviii—V3—V2ix69.184 (9)
V1iii—Yb—V2i90.913 (8)Ybviii—V3—V2viii132.594 (12)
V1iii—Yb—V2v138.552 (8)Ybviii—V3—V3viii73.369 (11)
V1iii—Yb—V2vi76.805 (7)Ybviii—V3—V4xiii50.251 (8)
V1iii—Yb—V3vii147.676 (8)Ybviii—V3—V4viii167.473 (14)
V1iii—Yb—V379.709 (8)Ybxvi—V3—V185.657 (12)
V1iii—Yb—V3viii112.036 (8)Ybxvi—V3—V1xx85.289 (12)
V1iii—Yb—V3ii45.592 (9)Ybxvi—V3—V1viii149.027 (15)
V1iii—Yb—V4iv94.306 (9)Ybxvi—V3—V2ix59.537 (9)
V1iii—Yb—V4viii54.939 (9)Ybxvi—V3—V2viii60.483 (9)
V1iii—Yb—V4v110.628 (9)Ybxvi—V3—V3viii145.598 (16)
V2iv—Yb—V2i136.900 (9)Ybxvi—V3—V4xiii57.881 (9)
V2iv—Yb—V2v82.910 (8)Ybxvi—V3—V4viii60.137 (9)
V2iv—Yb—V2vi45.573 (8)V1—V3—V1xx168.844 (19)
V2iv—Yb—V3vii152.230 (9)V1—V3—V1viii121.978 (16)
V2iv—Yb—V3106.373 (8)V1—V3—V2ix61.527 (12)
V2iv—Yb—V3viii98.979 (9)V1—V3—V2viii113.370 (14)
V2iv—Yb—V3ii68.364 (10)V1—V3—V3viii63.111 (13)
V2iv—Yb—V4iv50.760 (9)V1—V3—V4xiii107.844 (14)
V2iv—Yb—V4viii113.102 (9)V1—V3—V4viii66.113 (12)
V2iv—Yb—V4v54.840 (9)V1xx—V3—V1viii65.435 (13)
V2i—Yb—V2v110.855 (8)V1xx—V3—V2ix108.042 (15)
V2i—Yb—V2vi161.868 (8)V1xx—V3—V2viii67.289 (12)
V2i—Yb—V3vii58.652 (8)V1xx—V3—V3viii123.569 (16)
V2i—Yb—V395.636 (9)V1xx—V3—V4xiii61.616 (12)
V2i—Yb—V3viii121.745 (9)V1xx—V3—V4viii114.372 (14)
V2i—Yb—V3ii68.541 (10)V1viii—V3—V2ix118.532 (15)
V2i—Yb—V4iv109.937 (9)V1viii—V3—V2viii112.592 (14)
V2i—Yb—V4viii51.286 (9)V1viii—V3—V3viii58.868 (12)
V2i—Yb—V4v154.255 (9)V1viii—V3—V4xiii97.193 (13)
V2v—Yb—V2vi86.987 (7)V1viii—V3—V4viii140.354 (16)
V2v—Yb—V3vii69.321 (8)V2ix—V3—V2viii120.017 (13)
V2v—Yb—V3129.615 (8)V2ix—V3—V3viii91.211 (14)
V2v—Yb—V3viii86.590 (8)V2ix—V3—V4xiii46.426 (9)
V2v—Yb—V3ii109.232 (9)V2ix—V3—V4viii99.658 (12)
V2v—Yb—V4iv45.769 (8)V2viii—V3—V3viii143.533 (16)
V2v—Yb—V4viii161.542 (8)V2viii—V3—V4xiii99.712 (12)
V2v—Yb—V4v43.470 (8)V2viii—V3—V4viii47.415 (9)
V2vi—Yb—V3vii129.355 (8)V3viii—V3—V4xiii116.159 (15)
V2vi—Yb—V369.321 (8)V3viii—V3—V4viii113.640 (15)
V2vi—Yb—V3viii53.819 (8)V4xiii—V3—V4viii118.012 (13)
V2vi—Yb—V3ii109.563 (9)Ybxvii—V4—Ybviii119.438 (11)
V2vi—Yb—V4iv84.577 (8)Ybxvii—V4—Ybxix123.692 (12)
V2vi—Yb—V4viii110.645 (8)Ybxvii—V4—V1xi127.995 (12)
V2vi—Yb—V4v43.526 (8)Ybxvii—V4—V1viii71.998 (10)
V3vii—Yb—V391.858 (8)Ybxvii—V4—V266.037 (11)
V3vii—Yb—V3viii79.825 (8)Ybxvii—V4—V2xx118.154 (14)
V3vii—Yb—V3ii120.241 (9)Ybxvii—V4—V2xii82.371 (12)
V3vii—Yb—V4iv105.641 (9)Ybxvii—V4—V3xiv169.087 (13)
V3vii—Yb—V4viii94.340 (9)Ybxvii—V4—V3viii52.616 (9)
V3vii—Yb—V4v101.619 (9)Ybxvii—V4—V4xii59.069 (10)
V3—Yb—V3viii43.368 (8)Ybviii—V4—Ybxix116.825 (12)
V3—Yb—V3ii120.342 (9)Ybviii—V4—V1xi73.048 (10)
V3—Yb—V4iv153.894 (9)Ybviii—V4—V1viii52.368 (8)
V3—Yb—V4viii56.749 (8)Ybviii—V4—V2116.372 (14)
V3—Yb—V4v101.799 (9)Ybviii—V4—V2xx64.845 (11)
V3viii—Yb—V3ii157.475 (9)Ybviii—V4—V2xii125.921 (13)
V3viii—Yb—V4iv120.036 (9)Ybviii—V4—V3xiv51.243 (8)
V3viii—Yb—V4viii99.263 (9)Ybviii—V4—V3viii71.751 (10)
V3viii—Yb—V4v64.031 (9)Ybviii—V4—V4xii177.349 (15)
V3ii—Yb—V4iv67.247 (10)Ybxix—V4—V1xi67.608 (10)
V3ii—Yb—V4viii70.877 (10)Ybxix—V4—V1viii155.901 (13)
V3ii—Yb—V4v116.552 (10)Ybxix—V4—V287.701 (12)
V4iv—Yb—V4viii138.114 (10)Ybxix—V4—V2xx87.363 (12)
V4iv—Yb—V4v56.308 (10)Ybxix—V4—V2xii66.735 (11)
V4viii—Yb—V4v153.900 (9)Ybxix—V4—V3xiv65.718 (9)
Yb—V1—Ybi124.144 (11)Ybxix—V4—V3viii155.070 (13)
Yb—V1—Ybxv107.208 (10)Ybxix—V4—V4xii64.623 (10)
Yb—V1—Ybxvi107.120 (10)V1xi—V4—V1viii119.601 (14)
Yb—V1—V1i72.272 (11)V1xi—V4—V263.978 (12)
Yb—V1—V2ix154.125 (14)V1xi—V4—V2xx112.626 (15)
Yb—V1—V2i58.840 (9)V1xi—V4—V2xii134.152 (16)
Yb—V1—V3vii84.937 (13)V1xi—V4—V3xiv47.473 (10)
Yb—V1—V385.043 (12)V1xi—V4—V3viii95.142 (12)
Yb—V1—V3viii76.264 (12)V1xi—V4—V4xii106.006 (14)
Yb—V1—V4ix155.093 (14)V1viii—V4—V2116.318 (15)
Yb—V1—V4viii59.689 (9)V1viii—V4—V2xx68.573 (12)
Ybi—V1—Ybxv91.368 (8)V1viii—V4—V2xii100.940 (14)
Ybi—V1—Ybxvi125.119 (10)V1viii—V4—V3xiv101.183 (12)
Ybi—V1—V1i51.872 (9)V1viii—V4—V3viii48.369 (10)
Ybi—V1—V2ix72.716 (10)V1viii—V4—V4xii127.265 (15)
Ybi—V1—V2i134.011 (12)V2—V4—V2xx174.852 (19)
Ybi—V1—V3vii68.403 (11)V2—V4—V2xii117.697 (16)
Ybi—V1—V3113.814 (13)V2—V4—V3xiv111.339 (15)
Ybi—V1—V3viii72.451 (10)V2—V4—V3viii68.117 (12)
Ybi—V1—V4ix52.571 (8)V2—V4—V4xii61.158 (12)
Ybi—V1—V4viii176.168 (14)V2xx—V4—V2xii61.407 (12)
Ybxv—V1—Ybxvi91.092 (8)V2xx—V4—V3xiv65.153 (12)
Ybxv—V1—V1i107.978 (11)V2xx—V4—V3viii116.617 (15)
Ybxv—V1—V2ix90.406 (10)V2xx—V4—V4xii117.707 (16)
Ybxv—V1—V2i52.377 (8)V2xii—V4—V3xiv107.619 (14)
Ybxv—V1—V3vii49.119 (9)V2xii—V4—V3viii129.312 (16)
Ybxv—V1—V3139.527 (14)V2xii—V4—V4xii56.539 (12)
Ybxv—V1—V3viii161.524 (14)V3xiv—V4—V3viii116.475 (13)
Ybxv—V1—V4ix52.013 (8)V3xiv—V4—V4xii129.965 (15)
Ybxv—V1—V4viii87.216 (10)V3viii—V4—V4xii105.997 (14)
Ybxvi—V1—V1i160.368 (13)O1i—Yb—O2i94.16 (6)
Ybxvi—V1—V2ix52.449 (8)O1i—Yb—O371.58 (6)
Ybxvi—V1—V2i87.198 (9)O1i—Yb—O4i95.13 (6)
Ybxvi—V1—V3vii139.988 (14)O1i—Yb—O5viii69.18 (6)
Ybxvi—V1—V348.654 (9)O1i—Yb—O6viii140.07 (6)
Ybxvi—V1—V3viii105.396 (12)O1i—Yb—O7ii70.25 (6)
Ybxvi—V1—V4ix88.590 (10)O1i—Yb—O8viii140.14 (6)
Ybxvi—V1—V4viii51.397 (8)O2i—Yb—O3137.43 (6)
V1i—V1—V2ix120.880 (14)O2i—Yb—O4i72.75 (6)
V1i—V1—V2i107.929 (13)O2i—Yb—O5viii142.10 (6)
V1i—V1—V3vii59.503 (12)O2i—Yb—O6viii75.27 (6)
V1i—V1—V3112.493 (15)O2i—Yb—O7ii70.79 (6)
V1i—V1—V3viii55.062 (11)O2i—Yb—O8viii118.10 (6)
V1i—V1—V4ix99.356 (13)O3—Yb—O4i69.07 (6)
V1i—V1—V4viii131.961 (15)O3—Yb—O5viii71.00 (6)
V2ix—V1—V2i126.408 (14)O3—Yb—O6viii139.91 (6)
V2ix—V1—V3vii120.840 (16)O3—Yb—O7ii133.64 (6)
V2ix—V1—V369.456 (12)O3—Yb—O8viii68.80 (6)
V2ix—V1—V3viii93.096 (14)O4i—Yb—O5viii139.96 (6)
V2ix—V1—V4ix50.061 (10)O4i—Yb—O6viii117.05 (6)
V2ix—V1—V4viii103.719 (13)O4i—Yb—O7ii139.26 (6)
V2i—V1—V3vii66.266 (12)O4i—Yb—O8viii74.86 (6)
V2i—V1—V3112.157 (14)O5viii—Yb—O6viii95.59 (6)
V2i—V1—V3viii135.060 (15)O5viii—Yb—O7ii71.54 (6)
V2i—V1—V4ix104.113 (13)O5viii—Yb—O8viii93.64 (6)
V2i—V1—V4viii46.939 (9)O6viii—Yb—O7ii69.91 (6)
V3vii—V1—V3168.844 (19)O6viii—Yb—O8viii74.83 (6)
V3vii—V1—V3viii114.565 (16)O7ii—Yb—O8viii139.76 (6)
V3vii—V1—V4ix70.911 (13)O1ix—V1—O397.92 (7)
V3vii—V1—V4viii113.033 (14)O1ix—V1—O4101.19 (7)
V3—V1—V3viii58.022 (12)O1ix—V1—O4i171.35 (7)
V3—V1—V4ix119.518 (15)O1ix—V1—O5ix99.96 (8)
V3—V1—V4viii65.518 (12)O1ix—V1—O8viii86.73 (7)
V3viii—V1—V4ix118.864 (15)O3—V1—O4151.74 (8)
V3viii—V1—V4viii109.481 (14)O3—V1—O4i81.28 (7)
V4ix—V1—V4viii124.113 (14)O3—V1—O5ix97.56 (7)
Ybxvii—V2—Ybi115.665 (11)O3—V1—O8viii81.03 (7)
Ybxvii—V2—Ybxviii134.427 (11)O4—V1—O4i76.70 (7)
Ybxvii—V2—Ybxix97.090 (8)O4—V1—O5ix99.40 (7)
Ybxvii—V2—V1xi127.182 (12)O4—V1—O8viii79.49 (7)
Ybxvii—V2—V1i69.133 (9)O4i—V1—O5ix88.68 (7)
Ybxvii—V2—V2x80.771 (11)O4i—V1—O8viii84.63 (7)
Ybxvii—V2—V3xi166.609 (14)O5ix—V1—O8viii173.30 (8)
Ybxvii—V2—V3viii51.154 (8)O1—V2—O2xi96.71 (7)
Ybxvii—V2—V4vii112.534 (14)O1—V2—O3i88.80 (7)
Ybxvii—V2—V463.203 (11)O1—V2—O6xi95.76 (7)
Ybxvii—V2—V4xii58.426 (10)O1—V2—O6v177.02 (7)
Ybi—V2—Ybxviii93.732 (8)O1—V2—O7viii98.92 (7)
Ybi—V2—Ybxix130.909 (11)O2xi—V2—O3i173.61 (7)
Ybi—V2—V1xi74.079 (10)O2xi—V2—O6xi96.47 (7)
Ybi—V2—V1i51.133 (8)O2xi—V2—O6v81.51 (7)
Ybi—V2—V2x125.343 (13)O2xi—V2—O7viii85.15 (7)
Ybi—V2—V3xi51.921 (8)O3i—V2—O6xi86.15 (7)
Ybi—V2—V3viii69.760 (9)O3i—V2—O6v93.11 (7)
Ybi—V2—V4vii63.868 (11)O3i—V2—O7viii90.82 (7)
Ybi—V2—V4114.707 (14)O6xi—V2—O6v82.10 (7)
Ybi—V2—V4xii173.958 (15)O6xi—V2—O7viii164.94 (8)
Ybxviii—V2—Ybxix86.987 (7)O6v—V2—O7viii83.34 (7)
Ybxviii—V2—V1xi92.822 (11)O1ix—V3—O4viii172.18 (8)
Ybxviii—V2—V1i113.587 (10)O1ix—V3—O5xiii82.70 (8)
Ybxviii—V2—V2x53.657 (9)O1ix—V3—O786.90 (7)
Ybxviii—V2—V3xi56.997 (8)O1ix—V3—O897.11 (7)
Ybxviii—V2—V3viii159.370 (12)O1ix—V3—O8viii87.82 (7)
Ybxviii—V2—V4vii49.110 (9)O4viii—V3—O5xiii89.53 (8)
Ybxviii—V2—V4135.807 (14)O4viii—V3—O793.57 (7)
Ybxviii—V2—V4xii91.778 (11)O4viii—V3—O882.75 (7)
Ybxix—V2—V1xi56.882 (8)O4viii—V3—O8viii99.95 (7)
Ybxix—V2—V1i159.424 (12)O5xiii—V3—O787.24 (7)
Ybxix—V2—V2x93.817 (11)O5xiii—V3—O895.35 (7)
Ybxix—V2—V3xi90.053 (10)O5xiii—V3—O8viii170.52 (8)
Ybxix—V2—V3viii113.050 (10)O7—V3—O8175.47 (8)
Ybxix—V2—V4vii136.088 (14)O7—V3—O8viii92.22 (7)
Ybxix—V2—V448.830 (9)O8—V3—O8viii85.84 (7)
Ybxix—V2—V4xii51.860 (9)O2xi—V4—O2vi81.16 (7)
V1xi—V2—V1i118.689 (14)O2xi—V4—O3viii175.16 (7)
V1xi—V2—V2x138.563 (16)O2xi—V4—O593.62 (7)
V1xi—V2—V3xi49.017 (10)O2xi—V4—O6xiv87.91 (7)
V1xi—V2—V3viii94.277 (12)O2xi—V4—O7viii86.84 (7)
V1xi—V2—V4vii117.310 (15)O2vi—V4—O3viii96.32 (7)
V1xi—V2—V465.961 (12)O2vi—V4—O5171.92 (7)
V1xi—V2—V4xii108.140 (14)O2vi—V4—O6xiv81.99 (7)
V1i—V2—V2x98.703 (13)O2vi—V4—O7viii85.78 (7)
V1i—V2—V3xi100.765 (12)O3viii—V4—O588.42 (8)
V1i—V2—V3viii46.445 (9)O3viii—V4—O6xiv87.64 (7)
V1i—V2—V4vii64.488 (12)O3viii—V4—O7viii97.13 (7)
V1i—V2—V4110.602 (14)O5—V4—O6xiv91.71 (7)
V1i—V2—V4xii124.030 (15)O5—V4—O7viii100.15 (8)
V2x—V2—V3xi110.145 (14)O6xiv—V4—O7viii167.30 (8)
Symmetry codes: (i) x+1, y+1, z; (ii) x+1/2, y+3/2, z1/2; (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, z1/2; (vi) x+1/2, y+1/2, z+1/2; (vii) x, y, z1; (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, y1/2, z+1/2; (xii) x+1, y, z+1; (xiii) x+1/2, y+1/2, z+3/2; (xiv) x+1/2, y1/2, z+3/2; (xv) x1/2, y+3/2, z1/2; (xvi) x1/2, y+3/2, z+1/2; (xvii) x+3/2, y1/2, z+1/2; (xviii) x1/2, y+1/2, z1/2; (xix) x1/2, y+1/2, z+1/2; (xx) x, y, z+1.
(VI) top
Crystal data top
O8V4YbF(000) = 904
Mr = 504.8LeBail fit of synchrotrn powder data.
Monoclinic, P21/nDx = 6.037 Mg m3
Hall symbol: -P 2yabcSynchrotron radiation, λ = 0.47686 Å
a = 9.0469 (4) ÅCell parameters from 378 reflections
b = 10.6159 (4) Åθ = 1–10°
c = 5.7814 (3) ŵ = 7.88 mm1
β = 90.065 (4)°T = 50 K
V = 555.25 (4) Å3Irregular, black
Z = 40.11 × 0.10 × 0.09 mm
Data collection top
Huber 4-circle
diffractometer
5965 independent reflections
Radiation source: Hasylab; D34931 reflections with I > 3σ(I)
Detector resolution: Mar-CCD165 pixels mm-1Rint = 0.052
$πhi$–scansθmax = 31.8°, θmin = 2°
Absorption correction: numerical
Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus)
h = 1319
Tmin = 0.708, Tmax = 0.786k = 2120
60438 measured reflectionsl = 1212
Refinement top
Refinement on FWeighting 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) = 0.037Δρmax = 3.91 e Å3
S = 1.52Δρmin = 5.71 e Å3
5965 reflectionsExtinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
119 parametersExtinction coefficient: 2953 (267)
Special details top

Experimental. Hasylab, Beamline D3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Yb0.756301 (10)0.655567 (9)0.128232 (16)0.00160 (2)
V10.42627 (4)0.61495 (4)0.13095 (7)0.00204 (7)
V20.40994 (4)0.09875 (4)0.12341 (7)0.00192 (7)
V30.45074 (4)0.61027 (4)0.62827 (7)0.00210 (7)
V40.41770 (4)0.10808 (4)0.62571 (7)0.00209 (7)
O10.20500 (19)0.16110 (16)0.1097 (3)0.0036 (3)
O20.11598 (18)0.47319 (16)0.1146 (3)0.0030 (3)
O30.53594 (19)0.77724 (16)0.1295 (3)0.0032 (3)
O40.41370 (19)0.42829 (17)0.1154 (3)0.0033 (3)
O50.2191 (2)0.15494 (16)0.6288 (3)0.0039 (3)
O60.11335 (19)0.47789 (16)0.6352 (3)0.0030 (3)
O70.50791 (18)0.79031 (16)0.6296 (3)0.0028 (3)
O80.41263 (18)0.42906 (17)0.6336 (3)0.0031 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Yb0.00174 (3)0.00049 (4)0.00257 (4)0.00002 (2)0.00002 (2)0.00006 (2)
V10.00234 (10)0.00063 (12)0.00314 (12)0.00023 (8)0.00004 (8)0.00019 (9)
V20.00235 (10)0.00057 (12)0.00285 (12)0.00040 (8)0.00005 (8)0.00002 (9)
V30.00260 (10)0.00063 (12)0.00308 (12)0.00012 (8)0.00004 (8)0.00005 (9)
V40.00265 (10)0.00053 (12)0.00310 (12)0.00032 (8)0.00030 (8)0.00001 (9)
O10.0047 (5)0.0023 (6)0.0039 (6)0.0002 (4)0.0003 (4)0.0007 (4)
O20.0039 (5)0.0007 (5)0.0044 (6)0.0005 (4)0.0003 (4)0.0004 (4)
O30.0044 (5)0.0016 (6)0.0036 (6)0.0009 (4)0.0003 (4)0.0000 (4)
O40.0040 (5)0.0025 (6)0.0035 (6)0.0003 (4)0.0002 (4)0.0005 (4)
O50.0041 (5)0.0033 (6)0.0044 (6)0.0003 (4)0.0001 (4)0.0004 (4)
O60.0042 (5)0.0011 (6)0.0038 (6)0.0001 (4)0.0004 (4)0.0001 (4)
O70.0043 (5)0.0007 (5)0.0035 (6)0.0007 (4)0.0003 (4)0.0003 (4)
O80.0034 (5)0.0019 (5)0.0040 (6)0.0000 (4)0.0003 (4)0.0002 (4)
Geometric parameters (Å, º) top
Yb—V13.0168 (4)Yb—O1i2.4092 (18)
Yb—V1i3.6352 (4)Yb—O2i2.2757 (17)
Yb—V1ii4.0712 (4)Yb—O32.3755 (17)
Yb—V1iii4.0910 (4)Yb—O4i2.2664 (17)
Yb—V2iv3.3960 (4)Yb—O5viii2.4634 (18)
Yb—V2i3.3430 (4)Yb—O6viii2.2944 (17)
Yb—V2v4.2128 (4)Yb—O7ii2.3477 (17)
Yb—V2vi4.1722 (4)Yb—O8viii2.2460 (17)
Yb—V3vii4.0261 (4)V1—O1ix1.9754 (18)
Yb—V34.0310 (4)V1—O31.9882 (18)
Yb—V3viii3.6688 (4)V1—O41.9869 (18)
Yb—V3ii3.0453 (4)V1—O4i2.0832 (17)
Yb—V4iv3.3343 (4)V1—O5ix2.0395 (19)
Yb—V4viii3.2867 (4)V1—O8viii2.0474 (17)
Yb—V4v3.1569 (4)V2—O11.9702 (18)
V1—V1i3.1676 (5)V2—O2xi2.0313 (18)
V1—V2ix3.3627 (5)V2—O3i2.0281 (18)
V1—V2i3.6879 (5)V2—O6xi1.9813 (18)
V1—V3vii2.9152 (5)V2—O6v2.0132 (17)
V1—V32.8839 (5)V2—O7viii1.9941 (17)
V1—V3viii2.9815 (5)V3—O1ix2.0409 (18)
V1—V4ix3.4468 (5)V3—O4viii1.9658 (18)
V1—V4viii3.5514 (5)V3—O5xiii2.1358 (19)
V2—V2x3.0154 (5)V3—O71.9800 (17)
V2—V3xi3.5733 (5)V3—O81.9546 (18)
V2—V3viii3.6315 (5)V3—O8viii1.9995 (17)
V2—V4vii2.8800 (5)V4—O2xi2.0183 (18)
V2—V42.9065 (5)V4—O2vi1.9915 (17)
V2—V4xii3.0579 (5)V4—O3viii1.9128 (18)
V3—V3viii2.9119 (5)V4—O51.8649 (18)
V3—V4xiii3.6256 (5)V4—O6xiv1.9748 (18)
V3—V4viii3.5379 (5)V4—O7viii1.9486 (17)
V4—V4xii3.0985 (5)
V1—Yb—V1i55.946 (9)V2x—V2—V3viii126.228 (14)
V1—Yb—V1ii117.632 (9)V2x—V2—V4vii62.438 (13)
V1—Yb—V1iii116.911 (9)V2x—V2—V4118.950 (16)
V1—Yb—V2iv148.422 (10)V2x—V2—V4xii56.611 (12)
V1—Yb—V2i70.671 (10)V3xi—V2—V3viii116.631 (13)
V1—Yb—V2v103.847 (9)V3xi—V2—V4vii67.374 (12)
V1—Yb—V2vi103.467 (9)V3xi—V2—V4115.260 (14)
V1—Yb—V3vii46.204 (9)V3xi—V2—V4xii133.050 (15)
V1—Yb—V345.547 (9)V3viii—V2—V4vii110.908 (15)
V1—Yb—V3viii51.856 (9)V3viii—V2—V464.409 (12)
V1—Yb—V3ii133.500 (11)V3viii—V2—V4xii104.281 (14)
V1—Yb—V4iv148.937 (10)V4vii—V2—V4175.190 (18)
V1—Yb—V4viii68.428 (10)V4vii—V2—V4xii119.049 (16)
V1—Yb—V4v109.337 (10)V4—V2—V4xii62.536 (13)
V1i—Yb—V1ii110.697 (8)Yb—V3—Ybxx91.705 (8)
V1i—Yb—V1iii158.988 (9)Yb—V3—Ybviii135.870 (11)
V1i—Yb—V2iv115.932 (9)Yb—V3—Ybxvi107.408 (11)
V1i—Yb—V2i103.473 (9)Yb—V3—V148.307 (9)
V1i—Yb—V2v50.080 (8)Yb—V3—V1xx139.980 (14)
V1i—Yb—V2vi85.555 (8)Yb—V3—V1viii100.056 (12)
V1i—Yb—V3vii45.449 (8)Yb—V3—V2ix109.797 (11)
V1i—Yb—V383.670 (8)Yb—V3—V2viii86.792 (10)
V1i—Yb—V3viii47.044 (9)Yb—V3—V3viii61.316 (10)
V1i—Yb—V3ii155.105 (10)Yb—V3—V4xiii156.016 (13)
V1i—Yb—V4iv95.782 (9)Yb—V3—V4viii50.966 (8)
V1i—Yb—V4viii124.325 (9)Ybxx—V3—Ybviii99.603 (9)
V1i—Yb—V4v60.505 (9)Ybxx—V3—Ybxvi107.380 (11)
V1ii—Yb—V1iii90.195 (8)Ybxx—V3—V1139.958 (14)
V1ii—Yb—V2iv93.928 (8)Ybxx—V3—V1xx48.328 (9)
V1ii—Yb—V2i52.838 (8)Ybxx—V3—V1viii60.329 (10)
V1ii—Yb—V2v76.649 (8)Ybxx—V3—V2ix157.274 (13)
V1ii—Yb—V2vi138.242 (8)Ybxx—V3—V2viii51.455 (8)
V1ii—Yb—V3vii79.866 (8)Ybxx—V3—V3viii104.559 (12)
V1ii—Yb—V3146.899 (8)Ybxx—V3—V4xiii110.484 (11)
V1ii—Yb—V3viii157.614 (9)Ybxx—V3—V4viii88.052 (10)
V1ii—Yb—V3ii45.006 (9)Ybviii—V3—Ybxvi109.438 (11)
V1ii—Yb—V4iv56.259 (9)Ybviii—V3—V1110.925 (13)
V1ii—Yb—V4viii91.736 (9)Ybviii—V3—V1xx65.872 (11)
V1ii—Yb—V4v110.621 (9)Ybviii—V3—V1viii52.729 (9)
V1iii—Yb—V2iv58.136 (8)Ybviii—V3—V2ix70.340 (9)
V1iii—Yb—V2i90.752 (9)Ybviii—V3—V2viii132.824 (13)
V1iii—Yb—V2v138.569 (7)Ybviii—V3—V3viii74.554 (11)
V1iii—Yb—V2vi76.891 (8)Ybviii—V3—V4xiii51.284 (8)
V1iii—Yb—V3vii146.969 (8)Ybviii—V3—V4viii168.954 (13)
V1iii—Yb—V379.574 (8)Ybxvi—V3—V186.685 (13)
V1iii—Yb—V3viii112.155 (8)Ybxvi—V3—V1xx86.655 (13)
V1iii—Yb—V3ii45.348 (9)Ybxvi—V3—V1viii150.452 (16)
V1iii—Yb—V4iv94.067 (9)Ybxvi—V3—V2ix60.047 (9)
V1iii—Yb—V4viii54.390 (8)Ybxvi—V3—V2viii60.390 (9)
V1iii—Yb—V4v110.961 (9)Ybxvi—V3—V3viii146.455 (16)
V2iv—Yb—V2i136.212 (9)Ybxvi—V3—V4xiii58.262 (9)
V2iv—Yb—V2v83.408 (8)Ybxvi—V3—V4viii60.309 (9)
V2iv—Yb—V2vi45.542 (8)V1—V3—V1xx171.024 (18)
V2iv—Yb—V3vii153.096 (9)V1—V3—V1viii120.497 (17)
V2iv—Yb—V3106.603 (9)V1—V3—V2ix61.678 (12)
V2iv—Yb—V3viii98.929 (9)V1—V3—V2viii113.935 (15)
V2iv—Yb—V3ii68.385 (10)V1—V3—V3viii61.915 (13)
V2iv—Yb—V4iv51.160 (9)V1—V3—V4xiii108.763 (14)
V2iv—Yb—V4viii112.251 (10)V1—V3—V4viii66.242 (12)
V2iv—Yb—V4v55.489 (9)V1xx—V3—V1viii64.973 (13)
V2i—Yb—V2v110.310 (9)V1xx—V3—V2ix109.645 (14)
V2i—Yb—V2vi162.327 (9)V1xx—V3—V2viii67.550 (12)
V2i—Yb—V3vii58.167 (9)V1xx—V3—V3viii123.033 (17)
V2i—Yb—V395.545 (9)V1xx—V3—V4xiii62.493 (12)
V2i—Yb—V3viii122.513 (9)V1xx—V3—V4viii115.171 (15)
V2i—Yb—V3ii67.837 (10)V1viii—V3—V2ix120.187 (15)
V2i—Yb—V4iv108.908 (9)V1viii—V3—V2viii111.616 (14)
V2i—Yb—V4viii51.487 (9)V1viii—V3—V3viii58.582 (13)
V2i—Yb—V4v153.837 (10)V1viii—V3—V4xiii98.887 (14)
V2v—Yb—V2vi87.177 (8)V1viii—V3—V4viii138.243 (15)
V2v—Yb—V3vii69.690 (7)V2ix—V3—V2viii120.430 (13)
V2v—Yb—V3130.351 (8)V2ix—V3—V3viii92.577 (14)
V2v—Yb—V3viii86.666 (8)V2ix—V3—V4xiii47.158 (10)
V2v—Yb—V3ii109.399 (9)V2ix—V3—V4viii99.636 (13)
V2v—Yb—V4iv46.002 (8)V2viii—V3—V3viii141.168 (15)
V2v—Yb—V4viii161.376 (9)V2viii—V3—V4xiii99.744 (12)
V2v—Yb—V4v43.587 (9)V2viii—V3—V4viii47.810 (10)
V2vi—Yb—V3vii130.036 (8)V3viii—V3—V4xiii118.474 (15)
V2vi—Yb—V370.057 (7)V3viii—V3—V4viii111.394 (15)
V2vi—Yb—V3viii53.758 (8)V4xiii—V3—V4viii118.563 (13)
V2vi—Yb—V3ii109.644 (9)Ybxvii—V4—Ybviii119.964 (12)
V2vi—Yb—V4iv84.845 (8)Ybxvii—V4—Ybxix123.056 (12)
V2vi—Yb—V4viii110.877 (9)Ybxvii—V4—V1xi127.288 (13)
V2vi—Yb—V4v43.592 (9)Ybxvii—V4—V1viii72.414 (10)
V3vii—Yb—V391.705 (8)Ybxvii—V4—V265.518 (10)
V3vii—Yb—V3viii80.397 (8)Ybxvii—V4—V2xx117.886 (14)
V3vii—Yb—V3ii119.584 (9)Ybxvii—V4—V2xii82.334 (11)
V3vii—Yb—V4iv105.829 (9)Ybxvii—V4—V3xiv170.338 (14)
V3vii—Yb—V4viii94.192 (9)Ybxvii—V4—V3viii52.505 (8)
V3vii—Yb—V4v102.007 (9)Ybxvii—V4—V4xii58.642 (10)
V3—Yb—V3viii44.130 (8)Ybviii—V4—Ybxix116.940 (11)
V3—Yb—V3ii119.599 (9)Ybviii—V4—V1xi74.783 (10)
V3—Yb—V4iv154.878 (9)Ybviii—V4—V1viii52.182 (8)
V3—Yb—V4viii56.734 (9)Ybviii—V4—V2116.577 (14)
V3—Yb—V4v102.424 (9)Ybviii—V4—V2xx65.266 (11)
V3viii—Yb—V3ii157.372 (10)Ybviii—V4—V2xii125.950 (14)
V3viii—Yb—V4iv120.322 (9)Ybviii—V4—V3xiv51.997 (8)
V3viii—Yb—V4viii100.147 (9)Ybviii—V4—V3viii72.300 (10)
V3viii—Yb—V4v63.650 (9)Ybviii—V4—V4xii177.539 (16)
V3ii—Yb—V4iv67.186 (10)Ybxix—V4—V1xi66.633 (10)
V3ii—Yb—V4viii69.741 (10)Ybxix—V4—V1viii156.324 (14)
V3ii—Yb—V4v117.163 (10)Ybxix—V4—V287.923 (13)
V4iv—Yb—V4viii136.914 (10)Ybxix—V4—V2xx87.312 (13)
V4iv—Yb—V4v56.944 (10)Ybxix—V4—V2xii66.225 (11)
V4viii—Yb—V4v154.236 (10)Ybxix—V4—V3xiv65.066 (9)
Yb—V1—Ybi124.054 (12)Ybxix—V4—V3viii155.096 (14)
Yb—V1—Ybxv106.403 (10)Ybxix—V4—V4xii64.413 (10)
Yb—V1—Ybxvi107.023 (10)V1xi—V4—V1viii120.747 (14)
Yb—V1—V1i71.956 (11)V1xi—V4—V263.243 (12)
Yb—V1—V2ix154.851 (15)V1xi—V4—V2xx114.067 (15)
Yb—V1—V2i58.803 (9)V1xi—V4—V2xii132.769 (15)
Yb—V1—V3vii85.467 (12)V1xi—V4—V3xiv48.605 (10)
Yb—V1—V386.147 (12)V1xi—V4—V3viii96.166 (13)
Yb—V1—V3viii75.415 (11)V1xi—V4—V4xii104.350 (14)
Yb—V1—V4ix153.361 (15)V1viii—V4—V2115.668 (15)
Yb—V1—V4viii59.389 (9)V1viii—V4—V2xx69.073 (13)
Ybi—V1—Ybxv90.422 (8)V1viii—V4—V2xii101.791 (14)
Ybi—V1—Ybxvi126.300 (10)V1viii—V4—V3xiv101.798 (13)
Ybi—V1—V1i52.099 (9)V1viii—V4—V3viii48.007 (10)
Ybi—V1—V2ix73.913 (10)V1viii—V4—V4xii127.443 (14)
Ybi—V1—V2i132.011 (13)V2—V4—V2xx175.190 (18)
Ybi—V1—V3vii67.083 (11)V2—V4—V2xii117.464 (16)
Ybi—V1—V3115.574 (14)V2—V4—V3xiv111.776 (14)
Ybi—V1—V3viii74.222 (11)V2—V4—V3viii67.781 (12)
Ybi—V1—V4ix52.862 (8)V2—V4—V4xii61.126 (13)
Ybi—V1—V4viii175.976 (13)V2xx—V4—V2xii60.951 (13)
Ybxv—V1—Ybxvi90.195 (8)V2xx—V4—V3xiv65.468 (12)
Ybxv—V1—V1i106.105 (12)V2xx—V4—V3viii116.893 (15)
Ybxv—V1—V2ix89.488 (10)V2xx—V4—V4xii117.099 (16)
Ybxv—V1—V2i51.452 (8)V2xii—V4—V3xiv106.684 (14)
Ybxv—V1—V3vii47.997 (9)V2xii—V4—V3viii129.204 (15)
Ybxv—V1—V3138.324 (14)V2xii—V4—V4xii56.338 (12)
Ybxv—V1—V3viii161.628 (15)V3xiv—V4—V3viii117.856 (13)
Ybxv—V1—V4ix50.827 (8)V3xiv—V4—V4xii129.148 (15)
Ybxv—V1—V4viii86.406 (10)V3viii—V4—V4xii105.610 (14)
Ybxvi—V1—V1i163.380 (14)O1i—Yb—O2i93.36 (6)
Ybxvi—V1—V2ix52.399 (9)O1i—Yb—O371.64 (6)
Ybxvi—V1—V2i86.600 (10)O1i—Yb—O4i93.52 (6)
Ybxvi—V1—V3vii138.017 (14)O1i—Yb—O5viii69.69 (6)
Ybxvi—V1—V348.309 (10)O1i—Yb—O6viii139.84 (6)
Ybxvi—V1—V3viii106.931 (13)O1i—Yb—O7ii70.29 (6)
Ybxvi—V1—V4ix88.576 (10)O1i—Yb—O8viii140.60 (6)
Ybxvi—V1—V4viii51.326 (8)O2i—Yb—O3139.05 (6)
V1i—V1—V2ix122.964 (15)O2i—Yb—O4i74.06 (6)
V1i—V1—V2i105.947 (14)O2i—Yb—O5viii142.81 (6)
V1i—V1—V3vii58.524 (12)O2i—Yb—O6viii74.69 (6)
V1i—V1—V3115.556 (16)O2i—Yb—O7ii69.88 (6)
V1i—V1—V3viii56.503 (12)O2i—Yb—O8viii118.98 (6)
V1i—V1—V4ix99.116 (14)O3—Yb—O4i69.31 (6)
V1i—V1—V4viii131.287 (14)O3—Yb—O5viii68.26 (6)
V2ix—V1—V2i125.072 (14)O3—Yb—O6viii139.87 (6)
V2ix—V1—V3vii119.333 (15)O3—Yb—O7ii132.89 (6)
V2ix—V1—V369.299 (13)O3—Yb—O8viii69.14 (6)
V2ix—V1—V3viii95.686 (14)O4i—Yb—O5viii137.39 (6)
V2ix—V1—V4ix50.514 (10)O4i—Yb—O6viii118.41 (6)
V2ix—V1—V4viii103.553 (13)O4i—Yb—O7ii139.07 (6)
V2i—V1—V3vii65.515 (12)O4i—Yb—O8viii76.24 (6)
V2i—V1—V3112.415 (15)O5viii—Yb—O6viii96.79 (6)
V2i—V1—V3viii134.199 (15)O5viii—Yb—O7ii73.21 (6)
V2i—V1—V4ix102.050 (13)O5viii—Yb—O8viii92.19 (6)
V2i—V1—V4viii46.838 (10)O6viii—Yb—O7ii69.60 (6)
V3vii—V1—V3171.024 (18)O6viii—Yb—O8viii74.76 (6)
V3vii—V1—V3viii115.027 (16)O7ii—Yb—O8viii139.14 (6)
V3vii—V1—V4ix68.901 (12)O1ix—V1—O395.08 (7)
V3vii—V1—V4viii112.235 (15)O1ix—V1—O4104.32 (7)
V3—V1—V3viii59.503 (13)O1ix—V1—O4i172.92 (7)
V3—V1—V4ix119.807 (15)O1ix—V1—O5ix96.87 (7)
V3—V1—V4viii65.751 (12)O1ix—V1—O8viii88.85 (7)
V3viii—V1—V4ix121.353 (15)O3—V1—O4153.20 (7)
V3viii—V1—V4viii109.331 (14)O3—V1—O4i80.85 (7)
V4ix—V1—V4viii123.115 (14)O3—V1—O5ix97.93 (7)
Ybxvii—V2—Ybi116.409 (11)O3—V1—O8viii81.12 (7)
Ybxvii—V2—Ybxviii134.458 (11)O4—V1—O4i77.82 (7)
Ybxvii—V2—Ybxix96.592 (9)O4—V1—O5ix97.90 (7)
Ybxvii—V2—V1xi128.067 (13)O4—V1—O8viii80.98 (7)
Ybxvii—V2—V1i70.412 (9)O4i—V1—O5ix89.45 (7)
Ybxvii—V2—V2x80.959 (11)O4i—V1—O8viii84.81 (7)
Ybxvii—V2—V3xi167.728 (14)O5ix—V1—O8viii174.26 (7)
Ybxvii—V2—V3viii51.225 (8)O1—V2—O2xi98.11 (7)
Ybxvii—V2—V4vii113.180 (13)O1—V2—O3i88.91 (7)
Ybxvii—V2—V463.322 (10)O1—V2—O6xi95.05 (7)
Ybxvii—V2—V4xii58.286 (10)O1—V2—O6v175.78 (7)
Ybi—V2—Ybxviii93.260 (9)O1—V2—O7viii100.39 (7)
Ybi—V2—Ybxix130.756 (10)O2xi—V2—O3i172.63 (7)
Ybi—V2—V1xi74.763 (10)O2xi—V2—O6xi97.21 (7)
Ybi—V2—V1i50.526 (8)O2xi—V2—O6v79.38 (7)
Ybi—V2—V2x125.422 (14)O2xi—V2—O7viii84.08 (7)
Ybi—V2—V3xi52.116 (8)O3i—V2—O6xi84.36 (7)
Ybi—V2—V3viii70.378 (10)O3i—V2—O6v93.75 (7)
Ybi—V2—V4vii63.248 (11)O3i—V2—O7viii92.46 (7)
Ybi—V2—V4114.746 (14)O6xi—V2—O6v81.97 (7)
Ybi—V2—V4xii174.564 (15)O6xi—V2—O7viii164.18 (7)
Ybxviii—V2—Ybxix87.177 (7)O6v—V2—O7viii82.79 (7)
Ybxviii—V2—V1xi91.266 (10)O1ix—V3—O4viii173.23 (7)
Ybxviii—V2—V1i113.164 (11)O1ix—V3—O5xiii83.58 (7)
Ybxviii—V2—V2x53.499 (9)O1ix—V3—O785.84 (7)
Ybxviii—V2—V3xi55.902 (8)O1ix—V3—O898.58 (7)
Ybxviii—V2—V3viii159.536 (13)O1ix—V3—O8viii88.38 (7)
Ybxviii—V2—V4vii49.095 (10)O4viii—V3—O5xiii89.95 (7)
Ybxviii—V2—V4135.666 (14)O4viii—V3—O792.03 (7)
Ybxviii—V2—V4xii91.727 (12)O4viii—V3—O883.87 (7)
Ybxix—V2—V1xi56.007 (9)O4viii—V3—O8viii98.14 (7)
Ybxix—V2—V1i159.622 (13)O5xiii—V3—O788.35 (7)
Ybxix—V2—V2x93.507 (12)O5xiii—V3—O894.66 (7)
Ybxix—V2—V3xi90.126 (10)O5xiii—V3—O8viii171.84 (7)
Ybxix—V2—V3viii112.699 (11)O7—V3—O8174.89 (7)
Ybxix—V2—V4vii136.271 (14)O7—V3—O8viii92.45 (7)
Ybxix—V2—V448.491 (9)O8—V3—O8viii85.15 (7)
Ybxix—V2—V4xii51.664 (9)O2xi—V4—O2vi78.80 (7)
V1xi—V2—V1i119.360 (14)O2xi—V4—O3viii173.56 (7)
V1xi—V2—V2x136.467 (16)O2xi—V4—O592.93 (7)
V1xi—V2—V3xi49.023 (10)O2xi—V4—O6xiv87.93 (7)
V1xi—V2—V3viii95.926 (13)O2xi—V4—O7viii85.60 (7)
V1xi—V2—V4vii116.314 (15)O2vi—V4—O3viii95.90 (7)
V1xi—V2—V466.243 (12)O2vi—V4—O5169.71 (8)
V1xi—V2—V4xii107.302 (15)O2vi—V4—O6xiv81.27 (7)
V1i—V2—V2x99.597 (13)O2vi—V4—O7viii84.47 (7)
V1i—V2—V3xi100.169 (12)O3viii—V4—O591.92 (8)
V1i—V2—V3viii46.935 (10)O3viii—V4—O6xiv87.65 (7)
V1i—V2—V4vii64.089 (12)O3viii—V4—O7viii97.61 (7)
V1i—V2—V4111.166 (15)O5—V4—O6xiv92.41 (8)
V1i—V2—V4xii125.167 (14)O5—V4—O7viii101.14 (8)
V2x—V2—V3xi108.954 (14)O6xiv—V4—O7viii165.24 (7)
Symmetry codes: (i) x+1, y+1, z; (ii) x+1/2, y+3/2, z1/2; (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, z1/2; (vi) x+1/2, y+1/2, z+1/2; (vii) x, y, z1; (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, y1/2, z+1/2; (xii) x+1, y, z+1; (xiii) x+1/2, y+1/2, z+3/2; (xiv) x+1/2, y1/2, z+3/2; (xv) x1/2, y+3/2, z1/2; (xvi) x1/2, y+3/2, z+1/2; (xvii) x+3/2, y1/2, z+1/2; (xviii) x1/2, y+1/2, z1/2; (xix) x1/2, y+1/2, z+1/2; (xx) x, y, z+1.
(VII) top
Crystal data top
O8V4YbF(000) = 904
Mr = 504.8LeBail fit of synchrotrOn powder data.
Monoclinic, P21/nDx = 6.038 Mg m3
Hall symbol: -P 2yabcSynchrotron radiation, λ = 0.47686 Å
a = 9.0461 (3) ÅCell parameters from 378 reflections
b = 10.6156 (4) Åθ = 1–10°
c = 5.7812 (3) ŵ = 7.88 mm1
β = 90.068 (3)°T = 8 K
V = 555.17 (4) Å3Irregular, black
Z = 40.11 × 0.10 × 0.09 mm
Data collection top
Huber 4-circle
diffractometer
5970 independent reflections
Radiation source: Hasylab; D35254 reflections with I > 3σ(I)
Detector resolution: Mar-CCD165 pixels mm-1Rint = 0.049
$πhi$–scansθmax = 31.8°, θmin = 2°
Absorption correction: numerical
Xshape (Stoe &CIE), Jana2006 (Petricek, Dusek and Palatinus)
h = 1819
Tmin = 0.708, Tmax = 0.786k = 2120
54380 measured reflectionsl = 1212
Refinement top
Refinement on FWeighting 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) = 0.037Δρmax = 3.83 e Å3
S = 1.47Δρmin = 5.91 e Å3
5970 reflectionsExtinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
119 parametersExtinction coefficient: 3215 (314)
Special details top

Experimental. Hasylab, Beamline D3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Yb0.756284 (9)0.655589 (7)0.128315 (13)0.001487 (19
V10.42625 (4)0.61482 (3)0.13102 (5)0.00200 (6)
V20.40991 (4)0.09879 (3)0.12337 (5)0.00195 (6)
V30.45072 (4)0.61031 (3)0.62822 (5)0.00204 (6)
V40.41782 (4)0.10805 (3)0.62573 (5)0.00209 (6)
O10.20527 (19)0.16106 (14)0.1098 (3)0.0033 (3)
O20.11593 (18)0.47303 (14)0.1146 (2)0.0031 (3)
O30.53587 (18)0.77714 (15)0.1293 (2)0.0034 (3)
O40.41362 (18)0.42837 (14)0.1156 (2)0.0032 (3)
O50.2193 (2)0.15471 (13)0.6289 (3)0.0038 (3)
O60.11357 (18)0.47798 (14)0.6347 (2)0.0031 (3)
O70.50793 (18)0.78999 (14)0.6296 (2)0.0030 (3)
O80.41249 (18)0.42905 (14)0.6337 (2)0.0031 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Yb0.00160 (3)0.00067 (4)0.00219 (3)0.000012 (18)0.00003 (2)0.000073 (16)
V10.00226 (10)0.00076 (11)0.00299 (9)0.00023 (7)0.00006 (8)0.00003 (7)
V20.00233 (11)0.00080 (10)0.00272 (9)0.00030 (7)0.00003 (8)0.00010 (7)
V30.00247 (11)0.00073 (10)0.00291 (9)0.00016 (7)0.00009 (8)0.00010 (7)
V40.00255 (11)0.00081 (10)0.00290 (9)0.00020 (7)0.00033 (8)0.00006 (7)
O10.0038 (5)0.0023 (5)0.0039 (4)0.0002 (4)0.0000 (4)0.0002 (3)
O20.0038 (5)0.0018 (5)0.0036 (4)0.0001 (4)0.0000 (4)0.0000 (3)
O30.0046 (5)0.0022 (5)0.0033 (4)0.0000 (4)0.0002 (4)0.0005 (3)
O40.0041 (5)0.0020 (5)0.0034 (4)0.0001 (4)0.0001 (4)0.0002 (3)
O50.0044 (5)0.0028 (5)0.0042 (4)0.0003 (4)0.0002 (4)0.0008 (3)
O60.0037 (5)0.0017 (5)0.0039 (4)0.0003 (3)0.0003 (4)0.0001 (3)
O70.0037 (5)0.0018 (5)0.0036 (4)0.0006 (4)0.0003 (4)0.0006 (3)
O80.0034 (5)0.0021 (5)0.0038 (4)0.0002 (4)0.0001 (4)0.0003 (3)
Geometric parameters (Å, º) top
Yb—V13.0168 (4)Yb—O1i2.4096 (15)
Yb—V1i3.6344 (3)Yb—O2i2.2751 (15)
Yb—V1ii4.0719 (3)Yb—O32.3750 (16)
Yb—V1iii4.0914 (3)Yb—O4i2.2670 (15)
Yb—V2iv3.3960 (3)Yb—O5viii2.4645 (15)
Yb—V2i3.3423 (3)Yb—O6viii2.2957 (15)
Yb—V2v4.2136 (3)Yb—O7ii2.3486 (16)
Yb—V2vi4.1719 (3)Yb—O8viii2.2443 (15)
Yb—V3vii4.0264 (3)V1—O1ix1.9761 (16)
Yb—V34.0302 (3)V1—O31.9881 (16)
Yb—V3viii3.6690 (3)V1—O41.9846 (16)
Yb—V3ii3.0446 (3)V1—O4i2.0846 (15)
Yb—V4iv3.3336 (4)V1—O5ix2.0411 (17)
Yb—V4viii3.2869 (3)V1—O8viii2.0472 (15)
Yb—V4v3.1572 (3)V2—O11.9672 (17)
V1—V1i3.1658 (5)V2—O2xi2.0329 (15)
V1—V2ix3.3620 (5)V2—O3i2.0276 (15)
V1—V2i3.6889 (5)V2—O6xi1.9785 (15)
V1—V3vii2.9159 (4)V2—O6v2.0155 (16)
V1—V32.8830 (4)V2—O7viii1.9959 (15)
V1—V3viii2.9806 (5)V3—O1ix2.0423 (16)
V1—V4ix3.4475 (5)V3—O4viii1.9658 (15)
V1—V4viii3.5521 (5)V3—O5xiii2.1365 (17)
V2—V2x3.0160 (5)V3—O71.9764 (15)
V2—V3xi3.5723 (5)V3—O81.9552 (16)
V2—V3viii3.6310 (5)V3—O8viii2.0006 (15)
V2—V4vii2.8796 (4)V4—O2xi2.0191 (15)
V2—V42.9067 (4)V4—O2vi1.9892 (16)
V2—V4xii3.0575 (5)V4—O3viii1.9144 (15)
V3—V3viii2.9122 (5)V4—O51.8630 (18)
V3—V4xiii3.6263 (5)V4—O6xiv1.9765 (15)
V3—V4viii3.5373 (5)V4—O7viii1.9504 (15)
V4—V4xii3.0970 (5)
V1—Yb—V1i55.921 (8)V2x—V2—V3viii126.222 (14)
V1—Yb—V1ii117.649 (8)V2x—V2—V4vii62.426 (11)
V1—Yb—V1iii116.927 (8)V2x—V2—V4118.909 (14)
V1—Yb—V2iv148.411 (8)V2x—V2—V4xii56.602 (10)
V1—Yb—V2i70.704 (9)V3xi—V2—V3viii116.641 (12)
V1—Yb—V2v103.819 (8)V3xi—V2—V4vii67.408 (11)
V1—Yb—V2vi103.440 (8)V3xi—V2—V4115.280 (13)
V1—Yb—V3vii46.214 (8)V3xi—V2—V4xii133.035 (14)
V1—Yb—V345.539 (8)V3viii—V2—V4vii110.921 (13)
V1—Yb—V3viii51.837 (8)V3viii—V2—V464.401 (10)
V1—Yb—V3ii133.537 (9)V3viii—V2—V4xii104.275 (12)
V1—Yb—V4iv148.900 (9)V4vii—V2—V4175.182 (16)
V1—Yb—V4viii68.442 (9)V4vii—V2—V4xii119.028 (14)
V1—Yb—V4v109.323 (9)V4—V2—V4xii62.506 (11)
V1i—Yb—V1ii110.687 (7)Yb—V3—Ybxx91.709 (7)
V1i—Yb—V1iii159.019 (7)Yb—V3—Ybviii135.861 (9)
V1i—Yb—V2iv115.943 (8)Yb—V3—Ybxvi107.427 (9)
V1i—Yb—V2i103.455 (8)Yb—V3—V148.317 (9)
V1i—Yb—V2v50.065 (7)Yb—V3—V1xx139.981 (13)
V1i—Yb—V2vi85.560 (7)Yb—V3—V1viii100.048 (11)
V1i—Yb—V3vii45.436 (7)Yb—V3—V2ix109.809 (9)
V1i—Yb—V383.682 (7)Yb—V3—V2viii86.793 (9)
V1i—Yb—V3viii47.060 (7)Yb—V3—V3viii61.329 (9)
V1i—Yb—V3ii155.069 (8)Yb—V3—V4xiii156.027 (11)
V1i—Yb—V4iv95.756 (8)Yb—V3—V4viii50.978 (7)
V1i—Yb—V4viii124.312 (9)Ybxx—V3—Ybviii99.592 (7)
V1i—Yb—V4v60.526 (8)Ybxx—V3—Ybxvi107.370 (9)
V1ii—Yb—V1iii90.176 (7)Ybxx—V3—V1139.974 (13)
V1ii—Yb—V2iv93.924 (8)Ybxx—V3—V1xx48.323 (9)
V1ii—Yb—V2i52.821 (8)Ybxx—V3—V1viii60.314 (9)
V1ii—Yb—V2v76.663 (7)Ybxx—V3—V2ix157.260 (11)
V1ii—Yb—V2vi138.249 (7)Ybxx—V3—V2viii51.443 (7)
V1ii—Yb—V3vii79.860 (7)Ybxx—V3—V3viii104.549 (11)
V1ii—Yb—V3146.884 (7)Ybxx—V3—V4xiii110.475 (9)
V1ii—Yb—V3viii157.620 (7)Ybxx—V3—V4viii88.067 (9)
V1ii—Yb—V3ii44.982 (7)Ybviii—V3—Ybxvi109.437 (10)
V1ii—Yb—V4iv56.268 (7)Ybviii—V3—V1110.894 (12)
V1ii—Yb—V4viii91.722 (7)Ybviii—V3—V1xx65.846 (9)
V1ii—Yb—V4v110.614 (8)Ybviii—V3—V1viii52.731 (9)
V1iii—Yb—V2iv58.149 (7)Ybviii—V3—V2ix70.342 (8)
V1iii—Yb—V2i90.743 (7)Ybviii—V3—V2viii132.821 (10)
V1iii—Yb—V2v138.581 (7)Ybviii—V3—V3viii74.532 (10)
V1iii—Yb—V2vi76.920 (7)Ybviii—V3—V4xiii51.284 (7)
V1iii—Yb—V3vii146.957 (7)Ybviii—V3—V4viii168.951 (12)
V1iii—Yb—V379.582 (7)Ybxvi—V3—V186.730 (11)
V1iii—Yb—V3viii112.168 (7)Ybxvi—V3—V1xx86.668 (11)
V1iii—Yb—V3ii45.355 (7)Ybxvi—V3—V1viii150.433 (13)
V1iii—Yb—V4iv94.091 (8)Ybxvi—V3—V2ix60.049 (8)
V1iii—Yb—V4viii54.396 (8)Ybxvi—V3—V2viii60.399 (8)
V1iii—Yb—V4v110.969 (8)Ybxvi—V3—V3viii146.485 (13)
V2iv—Yb—V2i136.206 (8)Ybxvi—V3—V4xiii58.261 (8)
V2iv—Yb—V2v83.410 (7)Ybxvi—V3—V4viii60.309 (8)
V2iv—Yb—V2vi45.554 (7)V1—V3—V1xx171.041 (17)
V2iv—Yb—V3vii153.086 (7)V1—V3—V1viii120.470 (14)
V2iv—Yb—V3106.617 (7)V1—V3—V2ix61.683 (11)
V2iv—Yb—V3viii98.928 (8)V1—V3—V2viii113.980 (13)
V2iv—Yb—V3ii68.384 (9)V1—V3—V3viii61.901 (11)
V2iv—Yb—V4iv51.169 (8)V1—V3—V4xiii108.765 (13)
V2iv—Yb—V4viii112.270 (8)V1—V3—V4viii66.273 (10)
V2iv—Yb—V4v55.478 (8)V1xx—V3—V1viii64.936 (11)
V2i—Yb—V2v110.298 (7)V1xx—V3—V2ix109.639 (13)
V2i—Yb—V2vi162.347 (7)V1xx—V3—V2viii67.572 (10)
V2i—Yb—V3vii58.161 (7)V1xx—V3—V3viii122.979 (14)
V2i—Yb—V395.549 (8)V1xx—V3—V4xiii62.493 (10)
V2i—Yb—V3viii122.526 (8)V1xx—V3—V4viii115.202 (13)
V2i—Yb—V3ii67.833 (9)V1viii—V3—V2ix120.197 (13)
V2i—Yb—V4iv108.897 (8)V1viii—V3—V2viii111.589 (12)
V2i—Yb—V4viii51.485 (8)V1viii—V3—V3viii58.569 (11)
V2i—Yb—V4v153.821 (8)V1viii—V3—V4xiii98.884 (12)
V2v—Yb—V2vi87.168 (6)V1viii—V3—V4viii138.245 (14)
V2v—Yb—V3vii69.679 (7)V2ix—V3—V2viii120.441 (12)
V2v—Yb—V3130.347 (7)V2ix—V3—V3viii92.590 (12)
V2v—Yb—V3viii86.654 (7)V2ix—V3—V4xiii47.152 (8)
V2v—Yb—V3ii109.388 (8)V2ix—V3—V4viii99.628 (11)
V2v—Yb—V4iv45.988 (7)V2viii—V3—V3viii141.163 (14)
V2v—Yb—V4viii161.359 (7)V2viii—V3—V4xiii99.755 (11)
V2v—Yb—V4v43.581 (7)V2viii—V3—V4viii47.821 (8)
V2vi—Yb—V3vii130.029 (7)V3viii—V3—V4xiii118.459 (13)
V2vi—Yb—V370.065 (7)V3viii—V3—V4viii111.418 (13)
V2vi—Yb—V3viii53.744 (7)V4xiii—V3—V4viii118.561 (12)
V2vi—Yb—V3ii109.663 (8)Ybxvii—V4—Ybviii119.965 (10)
V2vi—Yb—V4iv84.848 (7)Ybxvii—V4—Ybxix123.082 (10)
V2vi—Yb—V4viii110.899 (7)Ybxvii—V4—V1xi127.272 (11)
V2vi—Yb—V4v43.589 (7)Ybxvii—V4—V1viii72.427 (9)
V3vii—Yb—V391.709 (7)Ybxvii—V4—V265.523 (9)
V3vii—Yb—V3viii80.408 (7)Ybxvii—V4—V2xx117.928 (13)
V3vii—Yb—V3ii119.566 (8)Ybxvii—V4—V2xii82.369 (11)
V3vii—Yb—V4iv105.801 (7)Ybxvii—V4—V3xiv170.312 (12)
V3vii—Yb—V4viii94.179 (8)Ybxvii—V4—V3viii52.503 (8)
V3vii—Yb—V4v102.013 (8)Ybxvii—V4—V4xii58.670 (9)
V3—Yb—V3viii44.139 (7)Ybviii—V4—Ybxix116.912 (11)
V3—Yb—V3ii119.617 (8)Ybviii—V4—V1xi74.782 (9)
V3—Yb—V4iv154.891 (8)Ybviii—V4—V1viii52.174 (8)
V3—Yb—V4viii56.731 (8)Ybviii—V4—V2116.540 (12)
V3—Yb—V4v102.446 (8)Ybviii—V4—V2xx65.251 (9)
V3viii—Yb—V3ii157.391 (8)Ybviii—V4—V2xii125.958 (11)
V3viii—Yb—V4iv120.302 (8)Ybviii—V4—V3xiv51.977 (7)
V3viii—Yb—V4viii100.154 (8)Ybviii—V4—V3viii72.291 (9)
V3viii—Yb—V4v63.660 (8)Ybviii—V4—V4xii177.523 (13)
V3ii—Yb—V4iv67.188 (9)Ybxix—V4—V1xi66.602 (9)
V3ii—Yb—V4viii69.763 (9)Ybxix—V4—V1viii156.328 (11)
V3ii—Yb—V4v117.139 (9)Ybxix—V4—V287.931 (11)
V4iv—Yb—V4viii136.938 (9)Ybxix—V4—V2xx87.303 (11)
V4iv—Yb—V4v56.918 (8)Ybxix—V4—V2xii66.224 (9)
V4viii—Yb—V4v154.257 (8)Ybxix—V4—V3xiv65.057 (8)
Yb—V1—Ybi124.079 (10)Ybxix—V4—V3viii155.097 (12)
Yb—V1—Ybxv106.376 (9)Ybxix—V4—V4xii64.412 (9)
Yb—V1—Ybxvi106.996 (9)V1xi—V4—V1viii120.735 (12)
Yb—V1—V1i71.962 (10)V1xi—V4—V263.216 (11)
Yb—V1—V2ix154.836 (12)V1xi—V4—V2xx114.039 (14)
Yb—V1—V2i58.776 (8)V1xi—V4—V2xii132.738 (14)
Yb—V1—V3vii85.463 (11)V1xi—V4—V3xiv48.606 (9)
Yb—V1—V386.144 (11)V1xi—V4—V3viii96.170 (11)
Yb—V1—V3viii75.433 (11)V1xi—V4—V4xii104.303 (12)
Yb—V1—V4ix153.347 (12)V1viii—V4—V2115.650 (13)
Yb—V1—V4viii59.384 (8)V1viii—V4—V2xx69.088 (11)
Ybi—V1—Ybxv90.418 (7)V1viii—V4—V2xii101.830 (12)
Ybi—V1—Ybxvi126.318 (9)V1viii—V4—V3xiv101.773 (11)
Ybi—V1—V1i52.117 (8)V1viii—V4—V3viii47.991 (8)
Ybi—V1—V2ix73.948 (9)V1viii—V4—V4xii127.494 (14)
Ybi—V1—V2i131.994 (10)V2—V4—V2xx175.182 (16)
Ybi—V1—V3vii67.094 (9)V2—V4—V2xii117.494 (14)
Ybi—V1—V3115.625 (12)V2—V4—V3xiv111.753 (13)
Ybi—V1—V3viii74.250 (10)V2—V4—V3viii67.778 (10)
Ybi—V1—V4ix52.871 (7)V2—V4—V4xii61.133 (11)
Ybi—V1—V4viii175.938 (12)V2xx—V4—V2xii60.972 (11)
Ybxv—V1—Ybxvi90.176 (7)V2xx—V4—V3xiv65.440 (11)
Ybxv—V1—V1i106.083 (10)V2xx—V4—V3viii116.890 (13)
Ybxv—V1—V2ix89.474 (9)V2xx—V4—V4xii117.142 (14)
Ybxv—V1—V2i51.441 (7)V2xii—V4—V3xiv106.677 (12)
Ybxv—V1—V3vii47.977 (8)V2xii—V4—V3viii129.232 (14)
Ybxv—V1—V3138.281 (13)V2xii—V4—V4xii56.361 (10)
Ybxv—V1—V3viii161.650 (12)V3xiv—V4—V3viii117.833 (12)
Ybxv—V1—V4ix50.822 (7)V3xiv—V4—V4xii129.135 (13)
Ybxv—V1—V4viii86.363 (9)V3viii—V4—V4xii105.630 (12)
Ybxvi—V1—V1i163.428 (12)O1i—Yb—O2i93.34 (5)
Ybxvi—V1—V2ix52.382 (7)O1i—Yb—O371.60 (5)
Ybxvi—V1—V2i86.584 (8)O1i—Yb—O4i93.46 (5)
Ybxvi—V1—V3vii137.975 (12)O1i—Yb—O5viii69.67 (5)
Ybxvi—V1—V348.288 (8)O1i—Yb—O6viii139.97 (6)
Ybxvi—V1—V3viii106.936 (10)O1i—Yb—O7ii70.28 (5)
Ybxvi—V1—V4ix88.567 (9)O1i—Yb—O8viii140.58 (6)
Ybxvi—V1—V4viii51.306 (7)O2i—Yb—O3139.00 (5)
V1i—V1—V2ix123.028 (13)O2i—Yb—O4i74.02 (6)
V1i—V1—V2i105.908 (12)O2i—Yb—O5viii142.81 (6)
V1i—V1—V3vii58.520 (10)O2i—Yb—O6viii74.76 (5)
V1i—V1—V3115.620 (14)O2i—Yb—O7ii69.90 (5)
V1i—V1—V3viii56.544 (10)O2i—Yb—O8viii118.99 (5)
V1i—V1—V4ix99.132 (12)O3—Yb—O4i69.30 (5)
V1i—V1—V4viii131.285 (14)O3—Yb—O5viii68.24 (5)
V2ix—V1—V2i125.040 (12)O3—Yb—O6viii139.82 (5)
V2ix—V1—V3vii119.338 (14)O3—Yb—O7ii132.85 (5)
V2ix—V1—V369.298 (11)O3—Yb—O8viii69.16 (5)
V2ix—V1—V3viii95.716 (12)O4i—Yb—O5viii137.37 (6)
V2ix—V1—V4ix50.518 (9)O4i—Yb—O6viii118.37 (5)
V2ix—V1—V4viii103.513 (11)O4i—Yb—O7ii139.03 (5)
V2i—V1—V3vii65.486 (10)O4i—Yb—O8viii76.28 (5)
V2i—V1—V3112.381 (13)O5viii—Yb—O6viii96.85 (5)
V2i—V1—V3viii134.190 (14)O5viii—Yb—O7ii73.20 (5)
V2i—V1—V4ix102.034 (11)O5viii—Yb—O8viii92.21 (5)
V2i—V1—V4viii46.820 (8)O6viii—Yb—O7ii69.74 (5)
V3vii—V1—V3171.041 (17)O6viii—Yb—O8viii74.66 (6)
V3vii—V1—V3viii115.064 (14)O7ii—Yb—O8viii139.17 (5)
V3vii—V1—V4ix68.900 (11)O1ix—V1—O395.12 (6)
V3vii—V1—V4viii112.191 (13)O1ix—V1—O4104.31 (6)
V3—V1—V3viii59.530 (11)O1ix—V1—O4i173.00 (7)
V3—V1—V4ix119.809 (14)O1ix—V1—O5ix96.78 (7)
V3—V1—V4viii65.736 (10)O1ix—V1—O8viii88.96 (6)
V3viii—V1—V4ix121.383 (14)O3—V1—O4153.24 (7)
V3viii—V1—V4viii109.349 (13)O3—V1—O4i80.81 (6)
V4ix—V1—V4viii123.066 (12)O3—V1—O5ix97.92 (6)
Ybxvii—V2—Ybi116.410 (10)O3—V1—O8viii81.11 (6)
Ybxvii—V2—Ybxviii134.446 (10)O4—V1—O4i77.87 (6)
Ybxvii—V2—Ybxix96.590 (7)O4—V1—O5ix97.86 (6)
Ybxvii—V2—V1xi128.080 (11)O4—V1—O8viii81.02 (6)
Ybxvii—V2—V1i70.410 (8)O4i—V1—O5ix89.45 (6)
Ybxvii—V2—V2x80.945 (10)O4i—V1—O8viii84.79 (6)
Ybxvii—V2—V3xi167.731 (12)O5ix—V1—O8viii174.24 (7)
Ybxvii—V2—V3viii51.217 (7)O1—V2—O2xi98.12 (6)
Ybxvii—V2—V4vii113.149 (13)O1—V2—O3i88.94 (6)
Ybxvii—V2—V463.308 (9)O1—V2—O6xi95.03 (7)
Ybxvii—V2—V4xii58.298 (9)O1—V2—O6v175.77 (6)
Ybi—V2—Ybxviii93.268 (7)O1—V2—O7viii100.33 (6)
Ybi—V2—Ybxix130.770 (10)O2xi—V2—O3i172.58 (7)
Ybi—V2—V1xi74.797 (9)O2xi—V2—O6xi97.12 (6)
Ybi—V2—V1i50.521 (7)O2xi—V2—O6v79.41 (6)
Ybi—V2—V2x125.428 (11)O2xi—V2—O7viii84.16 (6)
Ybi—V2—V3xi52.118 (7)O3i—V2—O6xi84.47 (6)
Ybi—V2—V3viii70.396 (8)O3i—V2—O6v93.68 (6)
Ybi—V2—V4vii63.264 (9)O3i—V2—O7viii92.35 (6)
Ybi—V2—V4114.779 (12)O6xi—V2—O6v81.93 (6)
Ybi—V2—V4xii174.576 (14)O6xi—V2—O7viii164.26 (7)
Ybxviii—V2—Ybxix87.168 (6)O6v—V2—O7viii82.90 (6)
Ybxviii—V2—V1xi91.248 (9)O1ix—V3—O4viii173.26 (6)
Ybxviii—V2—V1i113.180 (9)O1ix—V3—O5xiii83.53 (6)
Ybxviii—V2—V2x53.500 (8)O1ix—V3—O785.92 (6)
Ybxviii—V2—V3xi55.914 (7)O1ix—V3—O898.53 (6)
Ybxviii—V2—V3viii159.562 (10)O1ix—V3—O8viii88.43 (6)
Ybxviii—V2—V4vii49.108 (8)O4viii—V3—O5xiii90.01 (6)
Ybxviii—V2—V4135.653 (12)O4viii—V3—O792.02 (6)
Ybxviii—V2—V4xii91.709 (10)O4viii—V3—O883.84 (6)
Ybxix—V2—V1xi55.986 (7)O4viii—V3—O8viii98.07 (6)
Ybxix—V2—V1i159.617 (10)O5xiii—V3—O788.46 (6)
Ybxix—V2—V2x93.491 (10)O5xiii—V3—O894.53 (6)
Ybxix—V2—V3xi90.129 (9)O5xiii—V3—O8viii171.83 (6)
Ybxix—V2—V3viii112.686 (9)O7—V3—O8174.88 (7)
Ybxix—V2—V4vii136.274 (12)O7—V3—O8viii92.43 (6)
Ybxix—V2—V448.487 (8)O8—V3—O8viii85.19 (6)
Ybxix—V2—V4xii51.643 (8)O2xi—V4—O2vi78.82 (6)
V1xi—V2—V1i119.387 (12)O2xi—V4—O3viii173.57 (7)
V1xi—V2—V2x136.435 (14)O2xi—V4—O592.90 (7)
V1xi—V2—V3xi49.020 (9)O2xi—V4—O6xiv87.97 (6)
V1xi—V2—V3viii95.953 (11)O2xi—V4—O7viii85.71 (6)
V1xi—V2—V4vii116.346 (14)O2vi—V4—O3viii95.92 (7)
V1xi—V2—V466.266 (11)O2vi—V4—O5169.69 (7)
V1xi—V2—V4xii107.264 (12)O2vi—V4—O6xiv81.41 (6)
V1i—V2—V2x99.610 (12)O2vi—V4—O7viii84.52 (6)
V1i—V2—V3xi100.172 (11)O3viii—V4—O591.92 (7)
V1i—V2—V3viii46.942 (8)O3viii—V4—O6xiv87.58 (6)
V1i—V2—V4vii64.092 (10)O3viii—V4—O7viii97.54 (6)
V1i—V2—V4111.164 (13)O5—V4—O6xiv92.27 (7)
V1i—V2—V4xii125.184 (13)O5—V4—O7viii101.11 (7)
V2x—V2—V3xi108.967 (12)O6xiv—V4—O7viii165.46 (7)
Symmetry codes: (i) x+1, y+1, z; (ii) x+1/2, y+3/2, z1/2; (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, z1/2; (vi) x+1/2, y+1/2, z+1/2; (vii) x, y, z1; (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, y1/2, z+1/2; (xii) x+1, y, z+1; (xiii) x+1/2, y+1/2, z+3/2; (xiv) x+1/2, y1/2, z+3/2; (xv) x1/2, y+3/2, z1/2; (xvi) x1/2, y+3/2, z+1/2; (xvii) x+3/2, y1/2, z+1/2; (xviii) x1/2, y+1/2, z1/2; (xix) x1/2, y+1/2, z+1/2; (xx) x, y, z+1.
 

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