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The single-crystal diffraction study of Ce10W22O81 and powder X-ray diffraction (XRD) experiments on Ce10W22O81 and Nd10W22O81 show that the true space group of these phases is Pbnm, contrary to the previous literature reports of the space groups Pbcn and Pbcm for the rare-earth tungstates (RE = La, Ce, Pr, Nd) with this general formula. The structure contains rare-earth cations in seven-, eight- and ninefold coordination. W atoms are found in corner-sharing WO5 groups, and also in WO6 and WO7 polyhedra which share edges and corners to form W6O17 units. The new model obtained from our single-crystal work gives better agreement with powder XRD data on both Ce10W22O81 and Nd10W22O81, and gives more plausible coordination environments and bond-valence sums.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768108033430/zb5001sup1.cif
Contains datablocks global, I

fcf

Structure factor file (CIF format) https://doi.org/10.1107/S0108768108033430/zb5001Isup2.fcf
Contains datablock I

Computing details top

Data collection: SMART (Siemens, 1993); cell refinement: SAINT (Siemens ,1995); data reduction: SAINT (Siemens ,1995); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Betteridge et al., 2003); software used to prepare material for publication: CRYSTALS (Betteridge et al., 2003).

(I) top
Crystal data top
Ce10O81W22F(000) = 5712
Mr = 6741.85Dx = 7.285 Mg m3
Orthorhombic, PbnmMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2c 2abCell parameters from 0 reflections
a = 3.8891 (4) Åθ = 0–0°
b = 36.080 (4) ŵ = 48.34 mm1
c = 21.901 (2) ÅT = 120 K
V = 3073.1 (5) Å3Elongated prism, brown
Z = 20.08 × 0.02 × 0.02 mm
Data collection top
Area
diffractometer
4244 independent reflections
Graphite monochromatorRint = 0.044
ω scansθmax = 29.6°, θmin = 1.9°
Absorption correction: multi-scan
SADABS (Siemens, 1996)
h = 55
Tmin = 0.91, Tmax = 1.00k = 4949
32374 measured reflectionsl = 2928
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullPrimary atom site location: structure-invariant direct methods
wR(F2) = 0.101 Chebychev polynomial, (Watkin, 1994, Prince, 1982) [weight] = 1.0/[A0*T0(x) + A1*T1(x) ··· + An-1]*Tn-1(x)]
where Ai are the Chebychev coefficients listed below and x = F /Fmax Method = Robust Weighting (Prince, 1982) W = [weight] * [1-(deltaF/6*sigmaF)2]2 Ai are: 5.48 8.03 4.81 1.83 0.648
S = 0.91(Δ/σ)max = 0.001
2524 reflectionsΔρmax = 7.28 e Å3
166 parametersΔρmin = 7.55 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
W10.0653 (3)0.35277 (2)0.33588 (4)0.0059
W20.4325 (5)0.55718 (3)0.25000.0060
W30.0610 (4)0.27690 (4)0.25000.0065
W40.0647 (3)0.25248 (3)0.39511 (4)0.0067
W50.0661 (3)0.36527 (2)0.61692 (4)0.0058
W60.4927 (5)0.44607 (4)0.47384 (6)0.0275
W70.0455 (7)0.44219 (4)0.25000.0264
Ce80.0128 (4)0.51857 (4)0.38391 (11)0.0269
Ce90.0125 (6)0.17459 (6)0.25000.0290
Ce100.4859 (5)0.32947 (6)0.47894 (14)0.0381
O110.519 (10)0.3616 (9)0.6209 (15)0.056 (9)*
O120.014 (6)0.2109 (6)0.4317 (11)0.028 (5)*
O130.006 (5)0.2855 (5)0.4568 (10)0.019 (4)*
O140.509 (10)0.3493 (9)0.3345 (16)0.058 (9)*
O150.009 (6)0.3536 (6)0.4158 (9)0.021 (4)*
O160.012 (8)0.4732 (7)0.3118 (12)0.041 (7)*
O170.014 (7)0.3333 (7)0.25000.010 (5)*
O180.030 (9)0.5512 (8)0.25000.022 (7)*
O190.001 (6)0.3987 (6)0.3120 (9)0.019 (4)*
O200.010 (7)0.3471 (6)0.5406 (11)0.031 (5)*
O210.507 (7)0.2770 (7)0.25000.008 (5)*
O220.006 (5)0.2971 (5)0.3347 (9)0.015 (4)*
O230.492 (7)0.3980 (6)0.4680 (10)0.027 (5)*
O240.015 (5)0.4137 (5)0.6229 (9)0.014 (4)*
O250.487 (6)0.5346 (6)0.3218 (10)0.023 (5)*
O260.489 (11)0.4656 (11)0.5472 (19)0.073 (11)*
O280.519 (9)0.2548 (9)0.3937 (15)0.052 (8)*
O290.016 (6)0.1050 (6)0.25000.003 (4)*
O300.502 (10)0.4361 (9)0.25000.029 (8)*
O310.003 (5)0.2346 (4)0.1915 (8)0.010 (3)*
O320.020 (7)0.3376 (6)0.6859 (10)0.025 (5)*
O330.507 (13)0.4705 (12)0.408 (2)0.082 (12)*
O400.007 (16)0.4556 (15)0.475 (3)0.082 (17)*0.7500
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
W10.0043 (4)0.0066 (4)0.0066 (4)0.0005 (4)0.0011 (4)0.0006 (3)
W20.0067 (6)0.0047 (5)0.0067 (6)0.0011 (6)0.00000.0000
W30.0052 (6)0.0051 (5)0.0094 (6)0.0003 (5)0.00000.0000
W40.0043 (4)0.0078 (4)0.0079 (4)0.0006 (4)0.0020 (4)0.0021 (3)
W50.0045 (4)0.0072 (4)0.0058 (4)0.0002 (4)0.0006 (4)0.0002 (3)
W60.0495 (11)0.0195 (5)0.0133 (5)0.0016 (6)0.0039 (6)0.0041 (4)
W70.0492 (13)0.0060 (6)0.0240 (8)0.0005 (8)0.00000.0000
Ce80.0087 (8)0.0084 (6)0.0636 (14)0.0001 (5)0.0022 (8)0.0000 (7)
Ce90.0003 (12)0.0060 (9)0.081 (2)0.0001 (7)0.00000.0000
Ce100.0030 (9)0.0235 (8)0.0879 (18)0.0019 (6)0.0050 (9)0.0368 (10)
Geometric parameters (Å, º) top
W1—O14i2.17 (4)W6—Ce83.769 (2)
W1—W33.3573 (14)W6—O231.74 (2)
W1—O141.73 (4)W6—O261.75 (4)
W1—O151.76 (2)W6—O331.70 (4)
W1—O172.031 (9)W6—O401.97 (6)
W1—O191.76 (2)W7—O30ii2.12 (4)
W1—O222.023 (18)W7—O19iii2.08 (2)
W2—O18ii2.10 (4)W7—O16iii1.76 (3)
W2—Ce8iii3.680 (2)W7—Ce8iii4.026 (2)
W2—O25iii1.78 (2)W7—Ce84.026 (2)
W2—O29iv1.74 (2)W7—O161.76 (3)
W2—Ce8v3.898 (2)W7—O192.08 (2)
W2—Ce8ii3.898 (2)W7—O301.79 (4)
W2—Ce83.680 (2)Ce8—O33ii2.67 (5)
W2—O181.81 (4)Ce8—O26ix2.53 (4)
W2—O251.78 (2)Ce8—O26x2.52 (4)
W3—O21v2.15 (3)Ce8—O24ix2.450 (17)
W3—O22iii2.009 (19)Ce8—O25i2.44 (2)
W3—O31iii2.005 (17)Ce8—O162.27 (3)
W3—O172.04 (2)Ce8—O183.160 (11)
W3—O211.73 (3)Ce8—O252.44 (2)
W3—O222.009 (19)Ce8—O332.64 (5)
W3—O312.005 (17)Ce8—O403.02 (6)
W4—O28i2.12 (4)Ce9—O31iii2.518 (17)
W4—O31iii2.020 (18)Ce9—O32xi2.46 (2)
W4—Ce10ii3.760 (3)Ce9—O32vi2.46 (2)
W4—Ce10vi4.049 (2)Ce9—O32xii2.42 (2)
W4—Ce103.959 (3)Ce9—O32xiii2.42 (2)
W4—O121.71 (2)Ce9—O11xii3.11 (3)
W4—O131.82 (2)Ce9—O11xiii3.11 (3)
W4—O222.095 (18)Ce9—O292.51 (2)
W4—O281.77 (4)Ce9—O312.518 (17)
W5—O11i2.13 (4)Ce10—O13i2.58 (2)
W5—Ce9vii3.6848 (17)Ce10—O15i2.56 (2)
W5—Ce9viii3.8986 (18)Ce10—O20i2.47 (3)
W5—O111.77 (4)Ce10—O12xiii2.44 (2)
W5—O201.81 (2)Ce10—O132.53 (2)
W5—O241.762 (17)Ce10—O152.53 (2)
W5—O321.82 (2)Ce10—O202.44 (3)
W6—O40i1.97 (6)Ce10—O232.49 (2)
W6—Ce8i3.849 (2)
O14i—W1—W378.4 (9)O26ix—Ce8—O2570.4 (10)
O14i—W1—O14172 (2)O26x—Ce8—O25153.1 (10)
W3—W1—O1494.4 (11)O24ix—Ce8—O2574.5 (7)
O14i—W1—O1583.7 (12)O25i—Ce8—O25105.6 (8)
W3—W1—O15123.5 (7)O33ii—Ce8—O3394.1 (14)
O14—W1—O1598.2 (13)O26ix—Ce8—O33126.3 (13)
O14i—W1—O1779.3 (12)O26x—Ce8—O3358.1 (13)
W3—W1—O1734.7 (6)O24ix—Ce8—O33131.6 (11)
O14—W1—O1796.4 (14)O25i—Ce8—O3371.7 (11)
O15—W1—O17154.9 (10)O33ii—Ce8—O4050.5 (15)
O14i—W1—O1984.5 (11)O26ix—Ce8—O4076.0 (15)
W3—W1—O19125.5 (7)O26x—Ce8—O4078.3 (15)
O14—W1—O19102.2 (13)O24ix—Ce8—O40142.3 (12)
O15—W1—O19105.1 (9)O25i—Ce8—O40124.4 (13)
O17—W1—O1991.6 (9)W2—Ce8—W6155.82 (7)
O14i—W1—O2280.1 (11)W2—Ce8—W6ii114.69 (6)
W3—W1—O2233.5 (6)W6—Ce8—W6ii61.39 (4)
O14—W1—O2292.4 (12)W2—Ce8—W2xiv61.68 (4)
O15—W1—O2290.9 (9)W6—Ce8—W2xiv111.54 (5)
O17—W1—O2268.1 (8)W6ii—Ce8—W2xiv156.74 (6)
O19—W1—O22156.4 (9)W2—Ce8—W772.15 (5)
O18ii—W2—Ce8iii115.4 (4)W6—Ce8—W783.68 (4)
O18ii—W2—O25iii80.4 (8)W6ii—Ce8—W785.65 (5)
Ce8iii—W2—O25iii35.0 (8)W2xiv—Ce8—W771.28 (5)
O18ii—W2—O29iv89.3 (11)W2—Ce8—O1673.7 (7)
Ce8iii—W2—O29iv115.5 (4)W6—Ce8—O1682.2 (7)
O25iii—W2—O29iv116.1 (7)W6ii—Ce8—O1682.3 (7)
O18ii—W2—Ce8v54.0 (3)W2xiv—Ce8—O1674.6 (7)
Ce8iii—W2—Ce8v61.68 (4)W7—Ce8—O163.4 (7)
O25iii—W2—Ce8v26.8 (8)W2—Ce8—O1829.5 (6)
O29iv—W2—Ce8v106.9 (5)W6—Ce8—O18137.1 (6)
O18ii—W2—Ce8ii54.0 (3)W6ii—Ce8—O18137.6 (6)
Ce8iii—W2—Ce8ii136.46 (6)W2xiv—Ce8—O1832.6 (6)
O25iii—W2—Ce8ii115.7 (7)W7—Ce8—O1865.0 (5)
O29iv—W2—Ce8ii106.9 (5)W2—Ce8—O2524.8 (5)
Ce8v—W2—Ce8ii97.59 (7)W6—Ce8—O25148.1 (5)
O18ii—W2—Ce8115.4 (4)W6ii—Ce8—O2591.5 (5)
Ce8iii—W2—Ce8105.69 (7)W2xiv—Ce8—O2586.4 (5)
O25iii—W2—Ce8125.9 (7)W7—Ce8—O2577.4 (5)
O29iv—W2—Ce8115.5 (4)W2—Ce8—O33138.5 (9)
Ce8v—W2—Ce8136.46 (6)W6—Ce8—O3323.2 (10)
O18ii—W2—O18167.2 (18)W6ii—Ce8—O3380.5 (10)
Ce8iii—W2—O1859.2 (4)W2xiv—Ce8—O3388.9 (10)
O25iii—W2—O1893.7 (9)W7—Ce8—O3370.8 (9)
O29iv—W2—O18103.5 (12)W2—Ce8—O40142.8 (12)
Ce8v—W2—O18120.4 (5)W6—Ce8—O4031.4 (12)
O18ii—W2—O2580.4 (8)W6ii—Ce8—O4030.5 (12)
Ce8iii—W2—O25125.9 (7)W2xiv—Ce8—O40141.1 (12)
O25iii—W2—O25123.7 (14)W7—Ce8—O4088.0 (11)
O29iv—W2—O25116.1 (7)O16—Ce8—O1867.9 (9)
Ce8v—W2—O25115.7 (7)O16—Ce8—O2577.5 (9)
Ce8ii—W2—Ce861.68 (4)O18—Ce8—O2554.0 (8)
Ce8ii—W2—O18120.4 (5)O16—Ce8—O3370.5 (12)
Ce8—W2—O1859.2 (4)O18—Ce8—O33114.4 (11)
Ce8ii—W2—O2526.8 (8)O25—Ce8—O33147.7 (11)
Ce8—W2—O2535.0 (8)O16—Ce8—O4085.1 (13)
O18—W2—O2593.7 (9)O18—Ce8—O40153.0 (12)
O21v—W3—O22iii82.5 (6)O25—Ce8—O40121.6 (13)
O21v—W3—O31iii83.7 (7)O33—Ce8—O4052.7 (15)
O22iii—W3—O31iii148.3 (7)O31iii—Ce9—O32xi117.6 (7)
O21v—W3—W181.5 (5)O31iii—Ce9—O32vi83.3 (6)
O22iii—W3—W1101.7 (5)O32xi—Ce9—O32vi69.6 (11)
O31iii—W3—W1104.2 (5)O31iii—Ce9—O32xii115.7 (7)
O21v—W3—W1iii81.5 (5)O32xi—Ce9—O32xii105.7 (8)
O22iii—W3—W1iii33.8 (5)O32vi—Ce9—O32xii159.2 (10)
O31iii—W3—W1iii164.2 (5)O31iii—Ce9—O32xiii80.9 (6)
W1—W3—W1iii68.15 (4)O32xi—Ce9—O32xiii159.2 (10)
O21v—W3—O1784.8 (10)O32vi—Ce9—O32xiii105.7 (8)
O22iii—W3—O1768.2 (5)O32xii—Ce9—O32xiii71.1 (11)
O31iii—W3—O17138.4 (5)O31iii—Ce9—W5xii136.6 (4)
W1—W3—O1734.41 (10)O32xi—Ce9—W5xii81.7 (5)
W1iii—W3—O1734.41 (10)O32vi—Ce9—W5xii139.4 (5)
O21v—W3—O21179.8 (14)O32xii—Ce9—W5xii25.2 (5)
O22iii—W3—O2197.4 (6)O32xiii—Ce9—W5xii90.9 (5)
O31iii—W3—O2196.5 (8)O31iii—Ce9—W5xiii85.5 (4)
W1—W3—O2198.3 (7)O32xi—Ce9—W5xiii139.4 (5)
W1iii—W3—O2198.3 (7)O32vi—Ce9—W5xiii81.7 (5)
O21v—W3—O2282.5 (6)O32xii—Ce9—W5xiii90.9 (5)
O22iii—W3—O22134.8 (10)O32xiii—Ce9—W5xiii25.2 (5)
O31iii—W3—O2270.8 (7)O31iii—Ce9—O11xii145.4 (7)
W1—W3—O2233.8 (5)O32xi—Ce9—O11xii53.2 (9)
W1iii—W3—O22101.7 (5)O32vi—Ce9—O11xii115.9 (9)
O21v—W3—O3183.7 (7)O32xii—Ce9—O11xii53.3 (9)
O22iii—W3—O3170.8 (7)O32xiii—Ce9—O11xii117.2 (9)
O31iii—W3—O3179.5 (10)O31iii—Ce9—O11xiii84.2 (7)
W1—W3—O31164.2 (5)O32xi—Ce9—O11xiii115.9 (9)
W1iii—W3—O31104.2 (5)O32vi—Ce9—O11xiii53.2 (9)
O17—W3—O2195.0 (11)O32xii—Ce9—O11xiii117.2 (9)
O17—W3—O2268.2 (5)O32xiii—Ce9—O11xiii53.3 (9)
O21—W3—O2297.4 (6)O31iii—Ce9—W5xi135.4 (4)
O17—W3—O31138.4 (5)O32xi—Ce9—W5xi20.7 (5)
O21—W3—O3196.5 (8)O32vi—Ce9—W5xi85.3 (5)
O22—W3—O31148.3 (7)O32xii—Ce9—W5xi86.3 (6)
O28i—W4—O31iii82.5 (10)O32xiii—Ce9—W5xi143.7 (5)
O28i—W4—Ce10ii116.2 (9)O31iii—Ce9—W5vi87.1 (4)
O31iii—W4—Ce10ii139.0 (5)O32xi—Ce9—W5vi85.3 (5)
O28i—W4—Ce10vi89.5 (9)O32vi—Ce9—W5vi20.7 (5)
O31iii—W4—Ce10vi113.6 (5)O32xii—Ce9—W5vi143.7 (5)
Ce10ii—W4—Ce10vi103.26 (4)O32xiii—Ce9—W5vi86.3 (6)
O28i—W4—Ce1055.8 (9)O31iii—Ce9—O29149.4 (4)
O31iii—W4—Ce10126.0 (5)O32xi—Ce9—O2979.5 (7)
Ce10ii—W4—Ce1060.44 (5)O32vi—Ce9—O2979.5 (7)
Ce10vi—W4—Ce1099.80 (4)O32xii—Ce9—O2979.7 (7)
O28i—W4—O1285.8 (12)O32xiii—Ce9—O2979.7 (7)
O31iii—W4—O1298.4 (9)O31iii—Ce9—O3161.2 (8)
Ce10ii—W4—O12118.1 (8)O32xi—Ce9—O3183.3 (6)
Ce10vi—W4—O1215.3 (8)O32vi—Ce9—O31117.6 (7)
Ce10—W4—O12109.6 (8)O32xii—Ce9—O3180.9 (6)
O28i—W4—O1381.9 (11)O32xiii—Ce9—O31115.7 (7)
O31iii—W4—O13153.0 (8)W5xii—Ce9—W5xiii104.56 (6)
Ce10ii—W4—O1337.8 (7)W5xii—Ce9—O11xii28.6 (7)
Ce10vi—W4—O1388.1 (6)W5xiii—Ce9—O11xii123.9 (6)
Ce10—W4—O1329.2 (7)W5xii—Ce9—O11xiii123.9 (6)
O28i—W4—O2281.4 (10)W5xiii—Ce9—O11xiii28.6 (7)
O31iii—W4—O2268.8 (7)O11xii—Ce9—O11xiii130.4 (12)
Ce10ii—W4—O2278.0 (5)W5xii—Ce9—W5xi61.63 (2)
Ce10vi—W4—O22170.3 (6)W5xiii—Ce9—W5xi135.04 (7)
Ce10—W4—O2272.3 (5)O11xii—Ce9—W5xi33.1 (7)
O28i—W4—O28174.6 (19)O11xiii—Ce9—W5xi121.3 (6)
O31iii—W4—O2897.5 (12)W5xii—Ce9—W5vi135.04 (7)
Ce10ii—W4—O2860.6 (10)W5xiii—Ce9—W5vi61.63 (2)
Ce10vi—W4—O2895.5 (10)O11xii—Ce9—W5vi121.3 (6)
Ce10—W4—O28121.0 (10)O11xiii—Ce9—W5vi33.1 (7)
O12—W4—O13102.3 (10)W5xi—Ce9—W5vi96.77 (6)
O12—W4—O22162.9 (10)W5xii—Ce9—O2967.2 (3)
O13—W4—O2287.3 (8)W5xiii—Ce9—O2967.2 (3)
O12—W4—O2899.5 (13)O11xii—Ce9—O2965.2 (6)
O13—W4—O2896.1 (12)O11xiii—Ce9—O2965.2 (6)
O22—W4—O2893.5 (12)W5xi—Ce9—O2968.2 (3)
O11i—W5—Ce9vii114.4 (9)W5xii—Ce9—O3185.5 (4)
O11i—W5—Ce9viii52.8 (9)W5xiii—Ce9—O31136.6 (4)
Ce9vii—W5—Ce9viii61.63 (2)O11xii—Ce9—O3184.2 (7)
O11i—W5—O11170.6 (19)O11xiii—Ce9—O31145.4 (7)
Ce9vii—W5—O1157.5 (11)W5xi—Ce9—O3187.1 (4)
Ce9viii—W5—O11119.0 (11)W5vi—Ce9—O2968.2 (3)
O11i—W5—O2084.0 (12)W5vi—Ce9—O31135.4 (4)
Ce9vii—W5—O20130.3 (8)O29—Ce9—O31149.4 (4)
Ce9viii—W5—O20119.4 (8)O13i—Ce10—O15i61.2 (7)
O11—W5—O2098.0 (13)O13i—Ce10—O20i69.7 (7)
O11i—W5—O2486.9 (11)O15i—Ce10—O20i66.2 (7)
Ce9vii—W5—O24112.4 (6)O13i—Ce10—O12xiii77.5 (7)
Ce9viii—W5—O24104.3 (6)O15i—Ce10—O12xiii129.6 (7)
O11—W5—O24100.5 (12)O20i—Ce10—O12xiii73.5 (8)
O20—W5—O24114.4 (10)O13i—Ce10—W4i25.6 (5)
O11i—W5—O3280.4 (12)O15i—Ce10—W4i68.3 (5)
Ce9vii—W5—O3234.5 (8)O20i—Ce10—W4i95.1 (6)
Ce9viii—W5—O3228.6 (8)O12xiii—Ce10—W4i87.1 (5)
O11—W5—O3290.9 (13)O13i—Ce10—W484.0 (5)
O20—W5—O32123.8 (10)O15i—Ce10—W4113.8 (5)
O24—W5—O32118.1 (9)O20i—Ce10—W4150.0 (6)
O40i—W6—Ce8i50.9 (16)O12xiii—Ce10—W487.3 (5)
O40i—W6—Ce8111.8 (16)W4i—Ce10—W460.44 (5)
Ce8i—W6—Ce861.39 (4)O13i—Ce10—W4xiii73.5 (5)
O40i—W6—O23100.1 (18)O15i—Ce10—W4xiii130.9 (5)
Ce8i—W6—O23129.9 (8)O20i—Ce10—W4xiii81.6 (5)
Ce8—W6—O23130.7 (8)O12xiii—Ce10—W4xiii10.7 (5)
O40i—W6—O2686 (2)W4i—Ce10—W4xiii79.38 (4)
Ce8i—W6—O26101.6 (13)O13i—Ce10—O1399.1 (7)
Ce8—W6—O26101.3 (13)O15i—Ce10—O13133.7 (7)
O23—W6—O26117.8 (15)O20i—Ce10—O13150.3 (7)
O40i—W6—O3383 (2)O12xiii—Ce10—O1377.3 (7)
Ce8i—W6—O3336.1 (16)W4i—Ce10—O1378.2 (5)
Ce8—W6—O3337.8 (16)O13i—Ce10—O15133.8 (7)
O23—W6—O33117.1 (16)O15i—Ce10—O1599.9 (7)
O26—W6—O33125.0 (19)O20i—Ce10—O15144.8 (7)
O40i—W6—O40160 (3)O12xiii—Ce10—O15130.2 (7)
Ce8i—W6—O40113.8 (16)W4i—Ce10—O15110.0 (5)
Ce8—W6—O4052.9 (16)O13i—Ce10—O20150.5 (7)
O23—W6—O4099.8 (18)O15i—Ce10—O20144.9 (7)
O26—W6—O4085 (2)O20i—Ce10—O20104.9 (9)
O33—W6—O4087 (2)O12xiii—Ce10—O2073.3 (8)
O30ii—W7—O19iii80.8 (9)W4i—Ce10—O20146.2 (6)
O30ii—W7—O16iii89.6 (12)O13i—Ce10—O23126.0 (7)
O19iii—W7—O16iii88.4 (11)O15i—Ce10—O2366.6 (7)
O30ii—W7—Ce8iii92.3 (6)O20i—Ce10—O2377.8 (8)
O19iii—W7—Ce8iii92.2 (6)O12xiii—Ce10—O23132.2 (8)
O16iii—W7—Ce8iii4.3 (9)W4i—Ce10—O23133.2 (6)
O30ii—W7—Ce892.3 (6)W4—Ce10—W4xiii77.13 (4)
O19iii—W7—Ce8171.2 (6)W4—Ce10—O1320.5 (5)
O16iii—W7—Ce897.0 (9)W4xiii—Ce10—O1368.7 (5)
Ce8iii—W7—Ce893.50 (7)W4—Ce10—O1564.9 (5)
O30ii—W7—O1689.6 (12)W4xiii—Ce10—O15126.0 (5)
O19iii—W7—O16167.0 (11)O13—Ce10—O1562.2 (7)
O16iii—W7—O16100.4 (18)W4—Ce10—O2090.7 (6)
Ce8iii—W7—O1697.0 (9)W4xiii—Ce10—O2077.0 (6)
Ce8—W7—O164.3 (9)O13—Ce10—O2070.9 (7)
O30ii—W7—O1980.8 (9)O15—Ce10—O2067.1 (7)
O19iii—W7—O1981.5 (11)W4—Ce10—O23131.2 (6)
O16iii—W7—O19167.0 (11)W4xiii—Ce10—O23142.5 (5)
Ce8iii—W7—O19171.2 (6)O13—Ce10—O23127.7 (7)
Ce8—W7—O1992.2 (6)O15—Ce10—O2367.1 (7)
O30ii—W7—O30167.0 (19)O20—Ce10—O2378.5 (8)
O19iii—W7—O3089.4 (10)W5ii—O11—Ce9vii94.1 (12)
O16iii—W7—O3098.7 (12)W5ii—O11—W5170.6 (19)
Ce8iii—W7—O3096.6 (7)Ce9vii—O11—W593.9 (13)
Ce8—W7—O3096.6 (7)Ce10vi—O12—W4154.0 (13)
O16—W7—O1988.4 (11)Ce10ii—O13—Ce1099.1 (7)
O16—W7—O3098.7 (12)Ce10ii—O13—W4116.6 (10)
O19—W7—O3089.4 (10)Ce10—O13—W4130.4 (10)
O33ii—Ce8—O26ix57.5 (13)W1ii—O14—W1172 (2)
O33ii—Ce8—O26x126.5 (13)Ce10ii—O15—Ce1099.9 (7)
O26ix—Ce8—O26x100.6 (14)Ce10ii—O15—W1115.9 (10)
O33ii—Ce8—O24ix131.5 (11)Ce10—O15—W1129.2 (11)
O26ix—Ce8—O24ix79.3 (10)Ce8—O16—W7172.3 (16)
O26x—Ce8—O24ix78.9 (10)W3—O17—W1iii110.9 (6)
O33ii—Ce8—O25i148.0 (11)W3—O17—W1110.9 (6)
O26ix—Ce8—O25i153.1 (10)W1iii—O17—W1135.7 (13)
O26x—Ce8—O25i70.6 (11)W2i—O18—W2167.2 (18)
O24ix—Ce8—O25i74.2 (7)W2i—O18—Ce893.4 (7)
O33ii—Ce8—W293.2 (10)W2—O18—Ce891.4 (8)
O26ix—Ce8—W291.5 (9)W2i—O18—Ce8iii93.4 (7)
O26x—Ce8—W2138.8 (9)W2—O18—Ce8iii91.4 (8)
O24ix—Ce8—W264.9 (5)Ce8—O18—Ce8iii136.3 (10)
O25i—Ce8—W280.9 (5)W7—O19—W1156.5 (12)
O33ii—Ce8—W679.1 (10)Ce10ii—O20—Ce10104.9 (9)
O26ix—Ce8—W6103.1 (9)Ce10ii—O20—W5120.3 (12)
O26x—Ce8—W657.6 (9)Ce10—O20—W5134.6 (13)
O24ix—Ce8—W6136.3 (5)W3i—O21—W3179.8 (14)
O25i—Ce8—W693.5 (5)W4—O22—W1137.9 (10)
O33ii—Ce8—W6ii21.9 (10)W4—O22—W3108.6 (8)
O26ix—Ce8—W6ii56.2 (9)W1—O22—W3112.7 (9)
O26x—Ce8—W6ii104.6 (9)Ce10—O23—W6170.3 (13)
O24ix—Ce8—W6ii135.4 (5)Ce8ix—O24—W5170.0 (11)
O25i—Ce8—W6ii149.8 (5)Ce8—O25—Ce8ii105.6 (8)
O33ii—Ce8—W2xiv141.8 (9)Ce8—O25—W2120.2 (11)
O26ix—Ce8—W2xiv142.6 (9)Ce8ii—O25—W2134.0 (12)
O26x—Ce8—W2xiv86.8 (9)Ce8ix—O26—Ce8x100.6 (14)
O24ix—Ce8—W2xiv66.1 (5)Ce8ix—O26—W6130 (2)
O25i—Ce8—W2xiv19.2 (5)Ce8x—O26—W6129 (2)
O33ii—Ce8—W773.8 (9)W4ii—O28—W4174.6 (19)
O26ix—Ce8—W7127.8 (9)Ce9—O29—W2xv173.6 (13)
O26x—Ce8—W7124.5 (9)W7i—O30—W7167.0 (19)
O24ix—Ce8—W7129.7 (5)Ce9—O31—W4iii138.5 (8)
O25i—Ce8—W774.4 (5)Ce9—O31—W3109.4 (7)
O33ii—Ce8—O1670.6 (12)W4iii—O31—W3111.9 (8)
O26ix—Ce8—O16125.2 (12)Ce9viii—O32—Ce9vi105.7 (8)
O26x—Ce8—O16125.4 (12)Ce9viii—O32—W5130.6 (12)
O24ix—Ce8—O16132.5 (8)Ce9vi—O32—W5120.3 (12)
O25i—Ce8—O1677.5 (9)Ce8i—O33—Ce894.1 (14)
O33ii—Ce8—O18116.0 (11)Ce8i—O33—W6122 (2)
O26ix—Ce8—O18119.0 (11)Ce8—O33—W6119 (2)
O26x—Ce8—O18117.1 (11)W6—O40—W6ii160 (3)
O24ix—Ce8—O1864.7 (7)W6—O40—Ce896 (2)
O25i—Ce8—O1851.6 (8)W6ii—O40—Ce899 (2)
O33ii—Ce8—O2571.1 (11)
Symmetry codes: (i) x1, y, z; (ii) x+1, y, z; (iii) x, y, z+1/2; (iv) x+1/2, y+1/2, z; (v) x+1, y, z+1/2; (vi) x+1/2, y+1/2, z+1; (vii) x+1/2, y+1/2, z+1/2; (viii) x1/2, y+1/2, z+1/2; (ix) x, y+1, z+1; (x) x1, y+1, z+1; (xi) x+1/2, y+1/2, z1/2; (xii) x1/2, y+1/2, z1/2; (xiii) x1/2, y+1/2, z+1; (xiv) x1, y, z+1/2; (xv) x+1/2, y1/2, z.
 

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