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A new triple tungstate Rb9−xAg3+xSc2(WO4)9 (0 ≤ x ≤ 0.15) synthesized by solid state reactions and spontaneous crystallization from melts presents a new structure type related to those of Cs7Na5Yb2(MoO4)9 and Na13Sr2Ta2(PO4)9. The title compound in centrosymmetric space group Cmcm contains dimers of two ScO6 octahedra sharing corners with three bridging WO4 tetrahedra. Three pairs of opposite terminal WO4 tetrahedra are additionally linked by AgO2 dumbbells to form {Ag3[Sc2(WO4)9]}9− groups, which together with some rubidium ions are packed in pseudohexagonal glaserite-like layers parallel to (001), but stacking of the layers is different in these three structures. In the title structure, the layers stack with a shift along the b axis and their interlayer space contains disordered Rb+ cations partially substituted by Ag+ ions. Almost linear chains of incompletely filled close Rb3a–Rb3d positions (the shortest distances Rb–Rb are 0.46 to 0.64 Å) are found to locate approximately along the b axis. This positional disorder and the presence of wide common quadrangular faces of Rb2 and Rb3a–Rb3d coordination polyhedra favor two-dimensional ionic conductivity in the (001) plane with Rb+ and Ag+ carriers, which was confirmed with bond valence sum (BVS) maps. Electrical conductivity measurements on Rb9Ag3Sc2(WO4)9 ceramics revealed a first-order superionic phase transition at 570 K with a sharp increase in the electrical conductivity. The conductivity σi = 1.8 × 10−3 S cm−1 at 690 K is comparable with the value of 1.0 × 10−3 S cm−1 (500 K) observed earlier for rubidium-ion transport in pyrochlore-like ferroelectric RbNbWO6.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520619015270/je5023sup1.cif
Contains datablock I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520619015270/je5023Isup2.hkl
Contains datablock I

CCDC reference: 1965233

Computing details top

Data collection: APEX2 (Bruker, 2012); cell refinement: SAINT (Bruker, 2012); data reduction: SAINT (Bruker, 2012); program(s) used to solve structure: SHELXS2014 (Sheldrick, 2015); program(s) used to refine structure: SHELXL2017/1 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 2008).

(I) top
Crystal data top
Ag3.11O36Rb8.89Sc2W9·0.03(Rb8)·0.06(Rb8)·8.16(Rb8)Dx = 4.998 Mg m3
Mr = 3415.87Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, CmcmCell parameters from 3382 reflections
a = 17.9269 (3) Åθ = 3.4–59.3°
b = 10.4520 (2) ŵ = 33.84 mm1
c = 24.2260 (5) ÅT = 296 K
V = 4539.27 (15) Å3Fragment, colorless
Z = 40.08 × 0.08 × 0.04 mm
F(000) = 5884
Data collection top
Bruker APEX Duo CCD
diffractometer
2979 reflections with I > 2σ(I)
\ f scans, frame data integrationRint = 0.050
Absorption correction: multi-scan
SADABS (Bruker, 2012)
θmax = 29.7°, θmin = 1.7°
Tmin = 0.083, Tmax = 0.258h = 2424
44834 measured reflectionsk = 1413
3382 independent reflectionsl = 3333
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.019 w = 1/[σ2(Fo2) + (0.0084P)2 + 23.1939P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.035(Δ/σ)max = 0.033
S = 1.04Δρmax = 1.08 e Å3
3382 reflectionsΔρmin = 1.46 e Å3
187 parametersExtinction correction: SHELXL-2017/1 (Sheldrick 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
37 restraintsExtinction coefficient: 0.0000339 (18)
Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
W10.5000000.41301 (3)0.7500000.01240 (7)
W20.5000000.00984 (2)0.59409 (2)0.01412 (5)
W30.13335 (2)0.30585 (2)0.7500000.01311 (5)
W40.16802 (2)0.00694 (2)0.59314 (2)0.01353 (4)
Rb10.33511 (2)0.17527 (4)0.66257 (2)0.02366 (9)
Rb20.33811 (11)0.16878 (15)0.47423 (6)0.0256 (2)0.973 (7)
Rb3a0.5000000.5000000.5000000.026 (11)0.090 (3)
Rb3b0.5000000.460 (2)0.5072 (12)0.020 (6)0.1045 (17)
Rb3c0.5000000.4011 (9)0.5152 (4)0.030 (4)0.2597 (17)
Rb3d0.5000000.359 (4)0.5193 (19)0.027 (6)0.0907 (17)
Ag10.5000000.06296 (7)0.7500000.02914 (16)
Ag20.30578 (3)0.48034 (5)0.7500000.02874 (11)
Ag30.361 (3)0.186 (3)0.4809 (13)0.012 (6)0.027 (7)
Sc0.0000000.17670 (9)0.64088 (4)0.01184 (19)
O10.4211 (2)0.3143 (4)0.7500000.0253 (9)
O20.5000000.5121 (4)0.68979 (19)0.0339 (11)
O30.4197 (2)0.0654 (3)0.56209 (16)0.0544 (12)
O40.5000000.0708 (4)0.66199 (17)0.0358 (11)
O50.5000000.1622 (4)0.59040 (17)0.0284 (10)
O60.2204 (2)0.2304 (4)0.7500000.0280 (10)
O70.1471 (3)0.4730 (4)0.7500000.0263 (10)
O80.08314 (18)0.2601 (3)0.68974 (14)0.0357 (8)
O90.1572 (2)0.1323 (3)0.55405 (16)0.0447 (10)
O100.24084 (17)0.0984 (3)0.56573 (13)0.0361 (8)
O110.1943 (2)0.0378 (3)0.66059 (12)0.0370 (8)
O120.08316 (16)0.0990 (3)0.59024 (11)0.0249 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
W10.01360 (15)0.01031 (14)0.01328 (14)0.0000.0000.000
W20.01516 (11)0.01511 (11)0.01208 (10)0.0000.0000.00020 (8)
W30.01051 (10)0.01379 (11)0.01503 (10)0.00242 (9)0.0000.000
W40.01322 (8)0.01537 (8)0.01198 (7)0.00174 (6)0.00082 (6)0.00040 (5)
Rb10.0236 (2)0.0236 (2)0.0238 (2)0.00162 (17)0.00200 (16)0.00255 (15)
Rb20.0308 (5)0.0225 (4)0.0236 (4)0.0049 (4)0.0016 (4)0.0011 (3)
Rb3a0.020 (9)0.04 (3)0.020 (16)0.0000.0000.01 (2)
Rb3b0.013 (5)0.026 (18)0.021 (11)0.0000.0000.013 (12)
Rb3c0.023 (2)0.048 (13)0.021 (5)0.0000.0000.011 (8)
Rb3d0.016 (5)0.034 (16)0.029 (5)0.0000.0000.004 (9)
Ag10.0352 (4)0.0369 (4)0.0153 (3)0.0000.0000.000
Ag20.0331 (3)0.0345 (3)0.0186 (2)0.0003 (2)0.0000.000
Ag30.021 (15)0.009 (8)0.007 (8)0.002 (9)0.006 (8)0.004 (5)
Sc0.0111 (5)0.0132 (5)0.0112 (4)0.0000.0000.0006 (4)
O10.023 (2)0.027 (2)0.026 (2)0.0084 (19)0.0000.000
O20.043 (3)0.027 (2)0.032 (3)0.0000.0000.0170 (19)
O30.062 (3)0.041 (2)0.061 (2)0.0283 (19)0.044 (2)0.0205 (18)
O40.055 (3)0.036 (3)0.016 (2)0.0000.0000.0070 (18)
O50.042 (3)0.018 (2)0.025 (2)0.0000.0000.0045 (17)
O60.020 (2)0.030 (2)0.035 (2)0.0096 (19)0.0000.000
O70.035 (3)0.015 (2)0.030 (2)0.0007 (18)0.0000.000
O80.0330 (19)0.0390 (19)0.0352 (19)0.0077 (16)0.0147 (15)0.0066 (14)
O90.059 (3)0.0278 (19)0.047 (2)0.0044 (17)0.0006 (18)0.0169 (16)
O100.0229 (17)0.050 (2)0.0352 (18)0.0095 (16)0.0028 (14)0.0137 (15)
O110.042 (2)0.051 (2)0.0180 (16)0.0083 (18)0.0047 (14)0.0085 (14)
O120.0209 (16)0.0329 (17)0.0211 (14)0.0093 (13)0.0035 (12)0.0009 (12)
Geometric parameters (Å, º) top
W1—O11.751 (4)Rb3b—O9ix3.186 (12)
W1—O1i1.751 (4)Rb3b—O9x3.660 (15)
W1—O2ii1.789 (4)Rb3b—O9vi3.660 (15)
W1—O21.789 (4)Rb3b—O5viii3.91 (3)
W2—O3iii1.735 (3)Rb3c—O12vi2.958 (8)
W2—O31.735 (3)Rb3c—O12x2.958 (8)
W2—O41.764 (4)Rb3c—O9ix2.991 (5)
W2—O51.800 (4)Rb3c—O9v2.991 (5)
W3—O61.749 (4)Rb3c—O12ix3.131 (9)
W3—O71.765 (4)Rb3c—O12v3.131 (9)
W3—O8ii1.780 (3)Rb3c—O5viii3.575 (10)
W3—O81.780 (3)Rb3c—Scvi3.868 (9)
W4—O91.747 (3)Rb3c—O33.959 (10)
W4—O101.749 (3)Rb3c—O3iii3.959 (10)
W4—O111.764 (3)Rb3c—O9x4.074 (8)
W4—O121.801 (3)Rb3c—O9vi4.074 (8)
Rb1—O12.996 (3)Rb3d—O9ix2.942 (14)
Rb1—O103.001 (3)Rb3d—O9v2.942 (14)
Rb1—O63.008 (3)Rb3d—O12vi3.08 (4)
Rb1—O7iv3.009 (3)Rb3d—O12x3.08 (4)
Rb1—O11v3.046 (4)Rb3d—O5viii3.36 (5)
Rb1—O33.089 (4)Rb3d—O12ix3.39 (4)
Rb1—O43.1510 (16)Rb3d—O12v3.39 (4)
Rb1—O9v3.313 (4)Rb3d—O33.54 (3)
Rb1—O113.366 (4)Rb3d—O3iii3.54 (3)
Rb2—O32.800 (4)Ag1—O4ii2.134 (4)
Rb2—O9v2.841 (4)Ag1—O42.134 (4)
Rb2—O102.915 (3)Ag1—O7iv2.800 (4)
Rb2—O10vi2.977 (4)Ag1—O7xii2.800 (4)
Rb2—O3vii2.985 (4)Ag1—O12.984 (4)
Rb2—O12vi3.213 (3)Ag1—O1i2.984 (4)
Rb2—O5viii3.298 (3)Ag2—O11v2.174 (3)
Rb2—O9vii3.337 (4)Ag2—O11xiii2.174 (3)
Rb2—O10vii3.432 (4)Ag2—O6xiii2.656 (4)
Rb3a—O12vi2.841 (3)Ag2—O12.699 (4)
Rb3a—O12ix2.841 (3)Ag2—O72.846 (5)
Rb3a—O12v2.841 (3)Ag2—O63.027 (4)
Rb3a—O12x2.841 (3)Ag3—O32.57 (4)
Rb3a—O9v3.401 (4)Ag3—O9v2.62 (3)
Rb3a—O9x3.401 (4)Ag3—O12vi3.01 (3)
Rb3a—O9vi3.401 (4)Ag3—O3vii3.02 (3)
Rb3a—O9ix3.401 (4)Ag3—O5viii3.05 (3)
Rb3a—Scvi3.8806 (10)Ag3—O10vi3.11 (4)
Rb3a—Scix3.8806 (10)Ag3—O103.11 (3)
Rb3a—O5viii4.155 (4)Sc—O5xiv2.081 (4)
Rb3a—O5xi4.155 (4)Sc—O2xv2.089 (4)
Rb3b—O12vi2.86 (3)Sc—O82.093 (3)
Rb3b—O12x2.86 (3)Sc—O8xvi2.094 (3)
Rb3b—O12ix2.90 (2)Sc—O12xvi2.095 (3)
Rb3b—O12v2.90 (2)Sc—O122.095 (3)
Rb3b—O9v3.186 (12)
O1—W1—O1i107.8 (3)O11v—Ag2—O11xiii170.01 (19)
O1—W1—O2ii109.94 (10)O11v—Ag2—O6xiii94.91 (10)
O1i—W1—O2ii109.93 (10)O11xiii—Ag2—O6xiii94.91 (10)
O1—W1—O2109.94 (10)O11v—Ag2—O186.83 (10)
O1i—W1—O2109.93 (10)O11xiii—Ag2—O186.83 (10)
O2ii—W1—O2109.3 (3)O6xiii—Ag2—O1140.21 (13)
O3iii—W2—O3112.1 (3)O11v—Ag2—O789.82 (10)
O3iii—W2—O4107.20 (15)O11xiii—Ag2—O789.82 (10)
O3—W2—O4107.20 (14)O6xiii—Ag2—O781.35 (12)
O3iii—W2—O5108.20 (14)O1—Ag2—O7138.45 (12)
O3—W2—O5108.20 (14)O11v—Ag2—O685.67 (9)
O4—W2—O5114.0 (2)O11xiii—Ag2—O685.67 (9)
O6—W3—O7108.8 (2)O6xiii—Ag2—O6139.45 (4)
O6—W3—O8ii109.28 (13)O1—Ag2—O680.35 (12)
O7—W3—O8ii109.67 (13)O7—Ag2—O658.10 (11)
O6—W3—O8109.28 (13)O3—Ag3—O9v83.5 (10)
O7—W3—O8109.67 (13)O3—Ag3—O12vi131.9 (18)
O8ii—W3—O8110.2 (2)O9v—Ag3—O12vi83.5 (10)
O9—W4—O10109.42 (17)O3—Ag3—O3vii72.0 (8)
O9—W4—O11108.14 (17)O9v—Ag3—O3vii155.2 (16)
O10—W4—O11107.28 (16)O12vi—Ag3—O3vii109.6 (9)
O9—W4—O12109.26 (16)O3—Ag3—O5viii93.2 (12)
O10—W4—O12108.87 (15)O9v—Ag3—O5viii122.8 (16)
O11—W4—O12113.79 (15)O12vi—Ag3—O5viii57.4 (6)
O1—Rb1—O10166.49 (10)O3vii—Ag3—O5viii56.3 (5)
O1—Rb1—O676.16 (10)O3—Ag3—O10vi151.2 (11)
O10—Rb1—O6102.53 (9)O9v—Ag3—O10vi69.4 (7)
O1—Rb1—O7iv77.80 (9)O12vi—Ag3—O10vi56.4 (6)
O10—Rb1—O7iv114.95 (9)O3vii—Ag3—O10vi135.4 (13)
O6—Rb1—O7iv73.22 (10)O5viii—Ag3—O10vi109.5 (9)
O1—Rb1—O11v67.82 (10)O3—Ag3—O1068.5 (7)
O10—Rb1—O11v98.84 (9)O9v—Ag3—O1071.5 (7)
O6—Rb1—O11v72.78 (10)O12vi—Ag3—O10146.2 (11)
O7iv—Rb1—O11v136.15 (8)O3vii—Ag3—O10102.4 (10)
O1—Rb1—O3119.00 (10)O5viii—Ag3—O10156.4 (12)
O10—Rb1—O363.96 (9)O10vi—Ag3—O1092.9 (10)
O6—Rb1—O3164.10 (11)O5xiv—Sc—O2xv178.56 (18)
O7iv—Rb1—O3103.97 (9)O5xiv—Sc—O889.74 (13)
O11v—Rb1—O3116.02 (9)O2xv—Sc—O891.27 (13)
O1—Rb1—O471.86 (11)O5xiv—Sc—O8xvi89.74 (12)
O10—Rb1—O4115.60 (10)O2xv—Sc—O8xvi91.27 (13)
O6—Rb1—O4135.30 (9)O8—Sc—O8xvi90.79 (19)
O7iv—Rb1—O470.15 (11)O5xiv—Sc—O12xvi88.26 (12)
O11v—Rb1—O4120.24 (10)O2xv—Sc—O12xvi90.73 (13)
O3—Rb1—O453.64 (9)O8—Sc—O12xvi177.99 (13)
O1—Rb1—O9v104.18 (8)O8xvi—Sc—O12xvi89.19 (12)
O10—Rb1—O9v64.25 (8)O5xiv—Sc—O1288.26 (12)
O6—Rb1—O9v118.10 (9)O2xv—Sc—O1290.73 (13)
O7iv—Rb1—O9v168.68 (10)O8—Sc—O1289.19 (12)
O11v—Rb1—O9v52.91 (8)O8xvi—Sc—O12177.99 (13)
O3—Rb1—O9v65.16 (9)O12xvi—Sc—O1290.76 (17)
O4—Rb1—O9v99.65 (10)W1—O1—Ag2103.90 (18)
O1—Rb1—O11135.79 (8)W1—O1—Ag197.79 (17)
O10—Rb1—O1152.38 (8)Ag2—O1—Ag1158.32 (16)
O6—Rb1—O1167.93 (10)W1—O1—Rb1134.55 (6)
O7iv—Rb1—O1167.96 (9)Ag2—O1—Rb185.29 (10)
O11v—Rb1—O11121.42 (5)Ag1—O1—Rb179.44 (9)
O3—Rb1—O1196.38 (9)W1—O1—Rb1ii134.55 (6)
O4—Rb1—O11118.30 (9)Ag2—O1—Rb1ii85.29 (10)
O9v—Rb1—O11114.93 (8)Ag1—O1—Rb1ii79.44 (9)
O3—Rb2—O9v75.49 (11)Rb1—O1—Rb1ii89.99 (11)
O3—Rb2—O1068.72 (12)W1—O2—Scix159.9 (3)
O9v—Rb2—O1071.62 (11)W2—O3—Ag3148.2 (9)
O3—Rb2—O10vi144.21 (11)W2—O3—Rb2154.5 (2)
O9v—Rb2—O10vi68.73 (11)Ag3—O3—Rb28.7 (10)
O10—Rb2—O10vi99.73 (9)W2—O3—Rb2vii105.29 (15)
O3—Rb2—O3vii69.60 (14)Ag3—O3—Rb2vii88.5 (10)
O9v—Rb2—O3vii141.86 (14)Rb2—O3—Rb2vii80.57 (11)
O10—Rb2—O3vii108.10 (10)W2—O3—Ag3vii98.9 (8)
O10vi—Rb2—O3vii143.87 (12)Ag3—O3—Ag3vii91.0 (13)
O3—Rb2—O12vi115.57 (12)Rb2—O3—Ag3vii83.7 (6)
O9v—Rb2—O12vi76.40 (10)Rb2vii—O3—Ag3vii8.9 (9)
O10—Rb2—O12vi145.40 (10)W2—O3—Rb1100.35 (15)
O10vi—Rb2—O12vi55.48 (8)Ag3—O3—Rb1102.6 (6)
O3vii—Rb2—O12vi105.12 (9)Rb2—O3—Rb1101.48 (11)
O3—Rb2—O5viii83.86 (12)Rb2vii—O3—Rb1107.25 (15)
O9v—Rb2—O5viii108.20 (12)Ag3vii—O3—Rb1115.0 (9)
O10—Rb2—O5viii151.91 (10)W2—O3—Rb3d94.8 (4)
O10vi—Rb2—O5viii106.33 (10)Ag3—O3—Rb3d61.2 (11)
O3vii—Rb2—O5viii53.95 (10)Rb2—O3—Rb3d69.9 (5)
O12vi—Rb2—O5viii53.02 (9)Rb2vii—O3—Rb3d145.4 (8)
O3—Rb2—O9vii128.31 (13)Ag3vii—O3—Rb3d142.7 (10)
O9v—Rb2—O9vii104.62 (9)Rb1—O3—Rb3d96.2 (7)
O10—Rb2—O9vii62.99 (10)W2—O3—Rb3c97.09 (17)
O10vi—Rb2—O9vii64.18 (9)Ag3—O3—Rb3c59.7 (10)
O3vii—Rb2—O9vii108.80 (11)Rb2—O3—Rb3c68.28 (13)
O12vi—Rb2—O9vii114.43 (9)Rb2vii—O3—Rb3c145.14 (17)
O5viii—Rb2—O9vii139.06 (10)Ag3vii—O3—Rb3c143.2 (6)
O3—Rb2—O10vii99.55 (10)Rb1—O3—Rb3c94.31 (14)
O9v—Rb2—O10vii143.39 (11)Rb3d—O3—Rb3c2.8 (4)
O10—Rb2—O10vii72.86 (12)W2—O4—Ag1156.6 (3)
O10vi—Rb2—O10vii109.38 (8)W2—O4—Rb197.43 (9)
O3vii—Rb2—O10vii59.90 (10)Ag1—O4—Rb190.51 (8)
O12vi—Rb2—O10vii134.50 (9)W2—O4—Rb1iii97.43 (9)
O5viii—Rb2—O10vii107.23 (9)Ag1—O4—Rb1iii90.51 (8)
O9vii—Rb2—O10vii49.85 (8)Rb1—O4—Rb1iii139.46 (16)
O12vi—Rb3a—O12ix180.0W2—O5—Scxii141.2 (2)
O12vi—Rb3a—O12v116.70 (11)W2—O5—Ag3vii96.3 (6)
O12ix—Rb3a—O12v63.30 (11)Scxii—O5—Ag3vii105.5 (6)
O12vi—Rb3a—O12x63.30 (11)W2—O5—Ag3viii96.3 (7)
O12ix—Rb3a—O12x116.70 (11)Scxii—O5—Ag3viii105.5 (6)
O12v—Rb3a—O12x180.0Ag3vii—O5—Ag3viii110.2 (16)
O12vi—Rb3a—O9v73.35 (8)W2—O5—Rb2vii92.55 (10)
O12ix—Rb3a—O9v106.65 (8)Scxii—O5—Rb2vii105.19 (9)
O12v—Rb3a—O9v54.34 (8)Ag3vii—O5—Rb2vii7.2 (8)
O12x—Rb3a—O9v125.66 (8)Ag3viii—O5—Rb2vii116.8 (8)
O12vi—Rb3a—O9x106.65 (8)W2—O5—Rb2viii92.55 (10)
O12ix—Rb3a—O9x73.35 (8)Scxii—O5—Rb2viii105.19 (9)
O12v—Rb3a—O9x125.66 (8)Ag3vii—O5—Rb2viii116.8 (8)
O12x—Rb3a—O9x54.34 (8)Ag3viii—O5—Rb2viii7.2 (8)
O9v—Rb3a—O9x180.0Rb2vii—O5—Rb2viii123.26 (14)
O12vi—Rb3a—O9vi54.34 (8)W2—O5—Rb3dviii130.5 (6)
O12ix—Rb3a—O9vi125.66 (8)Scxii—O5—Rb3dviii88.3 (6)
O12v—Rb3a—O9vi73.35 (8)Ag3vii—O5—Rb3dviii60.1 (8)
O12x—Rb3a—O9vi106.65 (8)Ag3viii—O5—Rb3dviii60.1 (8)
O9v—Rb3a—O9vi68.10 (13)Rb2vii—O5—Rb3dviii67.1 (2)
O9x—Rb3a—O9vi111.90 (13)Rb2viii—O5—Rb3dviii67.1 (2)
O12vi—Rb3a—O9ix125.66 (8)W2—O5—Rb3cviii137.2 (2)
O12ix—Rb3a—O9ix54.34 (8)Scxii—O5—Rb3cviii81.69 (19)
O12v—Rb3a—O9ix106.65 (8)Ag3vii—O5—Rb3cviii62.5 (8)
O12x—Rb3a—O9ix73.35 (8)Ag3viii—O5—Rb3cviii62.5 (8)
O9v—Rb3a—O9ix111.90 (13)Rb2vii—O5—Rb3cviii69.25 (9)
O9x—Rb3a—O9ix68.10 (13)Rb2viii—O5—Rb3cviii69.25 (9)
O9vi—Rb3a—O9ix180.00 (12)Rb3dviii—O5—Rb3cviii6.6 (7)
O12vi—Rb3a—O5viii44.35 (7)W2—O5—Rb3bviii145.6 (4)
O12ix—Rb3a—O5viii135.65 (7)Scxii—O5—Rb3bviii73.2 (4)
O12v—Rb3a—O5viii135.65 (7)Ag3vii—O5—Rb3bviii65.9 (8)
O12x—Rb3a—O5viii44.35 (7)Ag3viii—O5—Rb3bviii65.9 (8)
O9v—Rb3a—O5viii81.81 (6)Rb2vii—O5—Rb3bviii72.30 (17)
O9x—Rb3a—O5viii98.19 (6)Rb2viii—O5—Rb3bviii72.30 (16)
O9vi—Rb3a—O5viii98.19 (6)Rb3dviii—O5—Rb3bviii15.1 (7)
O9ix—Rb3a—O5viii81.81 (6)Rb3cviii—O5—Rb3bviii8.4 (4)
O12vi—Rb3a—O5xi135.65 (7)W2—O5—Rb3axviii151.04 (18)
O12ix—Rb3a—O5xi44.35 (7)Scxii—O5—Rb3axviii67.80 (11)
O12v—Rb3a—O5xi44.35 (7)Ag3vii—O5—Rb3axviii68.4 (7)
O12x—Rb3a—O5xi135.65 (7)Ag3viii—O5—Rb3axviii68.4 (7)
O9v—Rb3a—O5xi98.19 (6)Rb2vii—O5—Rb3axviii74.46 (8)
O9x—Rb3a—O5xi81.81 (6)Rb2viii—O5—Rb3axviii74.46 (8)
O9vi—Rb3a—O5xi81.81 (6)Rb3dviii—O5—Rb3axviii20.5 (6)
O9ix—Rb3a—O5xi98.19 (6)Rb3cviii—O5—Rb3axviii13.89 (15)
O5viii—Rb3a—O5xi180.00 (10)Rb3bviii—O5—Rb3axviii5.5 (4)
O12vi—Rb3b—O12x62.8 (6)W3—O6—Ag2iv106.61 (19)
O12vi—Rb3b—O12ix161.8 (8)W3—O6—Rb1ii134.15 (6)
O12x—Rb3b—O12ix114.4 (2)Ag2iv—O6—Rb1ii86.12 (10)
O12vi—Rb3b—O12v114.4 (2)W3—O6—Rb1134.15 (6)
O12x—Rb3b—O12v161.8 (8)Ag2iv—O6—Rb186.12 (10)
O12ix—Rb3b—O12v62.0 (6)Rb1ii—O6—Rb189.53 (11)
O12vi—Rb3b—O9v76.6 (3)W3—O6—Ag293.56 (16)
O12x—Rb3b—O9v133.7 (8)Ag2iv—O6—Ag2159.83 (16)
O12ix—Rb3b—O9v111.1 (9)Rb1ii—O6—Ag279.62 (9)
O12v—Rb3b—O9v56.6 (3)Rb1—O6—Ag279.62 (9)
O12vi—Rb3b—O9ix133.7 (8)W3—O7—Ag1xiv101.58 (19)
O12x—Rb3b—O9ix76.6 (3)W3—O7—Ag299.58 (17)
O12ix—Rb3b—O9ix56.6 (3)Ag1xiv—O7—Ag2158.84 (16)
O12v—Rb3b—O9ix111.1 (9)W3—O7—Rb1xiii135.26 (5)
O9v—Rb3b—O9ix124.4 (8)Ag1xiv—O7—Rb1xiii82.18 (9)
O12vi—Rb3b—O9x99.9 (8)Ag2—O7—Rb1xiii82.83 (10)
O12x—Rb3b—O9x50.9 (3)W3—O7—Rb1v135.26 (5)
O12ix—Rb3b—O9x68.8 (3)Ag1xiv—O7—Rb1v82.18 (9)
O12v—Rb3b—O9x115.5 (6)Ag2—O7—Rb1v82.83 (10)
O9v—Rb3b—O9x166.9 (6)Rb1xiii—O7—Rb1v89.47 (11)
O9ix—Rb3b—O9x67.19 (16)W3—O8—Sc159.3 (2)
O12vi—Rb3b—O9vi50.9 (3)W4—O9—Ag3xix170.1 (7)
O12x—Rb3b—O9vi99.9 (8)W4—O9—Rb2xix167.3 (2)
O12ix—Rb3b—O9vi115.5 (6)Ag3xix—O9—Rb2xix8.7 (10)
O12v—Rb3b—O9vi68.8 (3)W4—O9—Rb3dxv106.8 (9)
O9v—Rb3b—O9vi67.19 (16)Ag3xix—O9—Rb3dxv70.5 (13)
O9ix—Rb3b—O9vi166.9 (6)Rb2xix—O9—Rb3dxv79.0 (9)
O9x—Rb3b—O9vi100.7 (6)W4—O9—Rb3cxv100.3 (2)
O12vi—Rb3b—O5viii47.9 (4)Ag3xix—O9—Rb3cxv76.0 (10)
O12x—Rb3b—O5viii47.9 (4)Rb2xix—O9—Rb3cxv84.2 (2)
O12ix—Rb3b—O5viii145.1 (4)Rb3dxv—O9—Rb3cxv8.8 (8)
O12v—Rb3b—O5viii145.1 (4)W4—O9—Rb3bxv92.3 (5)
O9v—Rb3b—O5viii88.6 (4)Ag3xix—O9—Rb3bxv82.6 (10)
O9ix—Rb3b—O5viii88.6 (4)Rb2xix—O9—Rb3bxv90.3 (5)
O9x—Rb3b—O5viii98.4 (5)Rb3dxv—O9—Rb3bxv20.1 (8)
O9vi—Rb3b—O5viii98.4 (5)Rb3cxv—O9—Rb3bxv11.4 (3)
O12vi—Rb3c—O12x60.5 (2)W4—O9—Rb1xix94.07 (15)
O12vi—Rb3c—O9ix138.3 (3)Ag3xix—O9—Rb1xix95.8 (7)
O12x—Rb3c—O9ix78.28 (12)Rb2xix—O9—Rb1xix95.42 (10)
O12vi—Rb3c—O9v78.28 (12)Rb3dxv—O9—Rb1xix104.3 (7)
O12x—Rb3c—O9v138.3 (3)Rb3cxv—O9—Rb1xix111.1 (2)
O9ix—Rb3c—O9v140.8 (4)Rb3bxv—O9—Rb1xix120.2 (4)
O12vi—Rb3c—O12ix137.9 (3)W4—O9—Rb2vii95.65 (15)
O12x—Rb3c—O12ix105.17 (19)Ag3xix—O9—Rb2vii84.0 (10)
O9ix—Rb3c—O12ix56.36 (13)Rb2xix—O9—Rb2vii75.38 (9)
O9v—Rb3c—O12ix110.1 (3)Rb3dxv—O9—Rb2vii150.3 (9)
O12vi—Rb3c—O12v105.17 (19)Rb3cxv—O9—Rb2vii149.8 (2)
O12x—Rb3c—O12v137.9 (3)Rb3bxv—O9—Rb2vii145.2 (5)
O9ix—Rb3c—O12v110.1 (3)Rb1xix—O9—Rb2vii93.04 (10)
O9v—Rb3c—O12v56.36 (13)W4—O9—Rb3axv87.83 (13)
O12ix—Rb3c—O12v56.87 (19)Ag3xix—O9—Rb3axv86.2 (9)
O12vi—Rb3c—O5viii51.80 (16)Rb2xix—O9—Rb3axv93.44 (11)
O12x—Rb3c—O5viii51.80 (16)Rb3dxv—O9—Rb3axv27.1 (7)
O9ix—Rb3c—O5viii98.3 (2)Rb3cxv—O9—Rb3axv18.37 (18)
O9v—Rb3c—O5viii98.3 (2)Rb3bxv—O9—Rb3axv7.0 (3)
O12ix—Rb3c—O5viii151.26 (10)Rb1xix—O9—Rb3axv125.94 (12)
O12v—Rb3c—O5viii151.26 (10)Rb2vii—O9—Rb3axv140.60 (13)
O12vi—Rb3c—O393.7 (2)W4—O9—Rb3bvi84.0 (4)
O12x—Rb3c—O3115.5 (3)Ag3xix—O9—Rb3bvi89.4 (10)
O9ix—Rb3c—O398.6 (2)Rb2xix—O9—Rb3bvi96.2 (4)
O9v—Rb3c—O357.58 (15)Rb3dxv—O9—Rb3bvi33.1 (7)
O12ix—Rb3c—O3126.3 (3)Rb3cxv—O9—Rb3bvi24.5 (4)
O12v—Rb3c—O3104.24 (19)Rb3bxv—O9—Rb3bvi13.1 (6)
O5viii—Rb3c—O365.56 (17)Rb1xix—O9—Rb3bvi130.8 (4)
O12vi—Rb3c—O3iii115.5 (3)Rb2vii—O9—Rb3bvi136.2 (4)
O12x—Rb3c—O3iii93.7 (2)Rb3axv—O9—Rb3bvi6.1 (3)
O9ix—Rb3c—O3iii57.58 (15)W4—O9—Rb3cvi78.82 (18)
O9v—Rb3c—O3iii98.6 (2)Ag3xix—O9—Rb3cvi93.9 (8)
O12ix—Rb3c—O3iii104.24 (19)Rb2xix—O9—Rb3cvi100.04 (17)
O12v—Rb3c—O3iii126.3 (3)Rb3dxv—O9—Rb3cvi40.4 (6)
O5viii—Rb3c—O3iii65.56 (17)Rb3cxv—O9—Rb3cvi31.7 (3)
O3—Rb3c—O3iii42.63 (14)Rb3bxv—O9—Rb3cvi20.4 (4)
O12vi—Rb3c—O9x89.6 (2)Rb1xix—O9—Rb3cvi135.71 (14)
O12x—Rb3c—O9x45.23 (12)Rb2vii—O9—Rb3cvi130.96 (15)
O9ix—Rb3c—O9x63.07 (15)Rb3axv—O9—Rb3cvi13.38 (10)
O9v—Rb3c—O9x148.3 (3)Rb3bvi—O9—Rb3cvi7.3 (3)
O12ix—Rb3c—O9x61.18 (13)W4—O10—Rb2150.83 (18)
O12v—Rb3c—O9x100.2 (2)W4—O10—Rb2vi102.44 (14)
O5viii—Rb3c—O9x96.86 (18)Rb2—O10—Rb2vi80.27 (9)
O3—Rb3c—O9x153.6 (2)W4—O10—Rb1105.65 (13)
O3iii—Rb3c—O9x113.11 (10)Rb2—O10—Rb1100.96 (10)
O12vi—Rb3c—O9vi45.23 (12)Rb2vi—O10—Rb1107.66 (11)
O12x—Rb3c—O9vi89.6 (2)W4—O10—Ag3vi95.6 (8)
O9ix—Rb3c—O9vi148.3 (3)Rb2—O10—Ag3vi83.7 (6)
O9v—Rb3c—O9vi63.07 (15)Rb2vi—O10—Ag3vi8.5 (8)
O12ix—Rb3c—O9vi100.2 (2)Rb1—O10—Ag3vi114.8 (8)
O12v—Rb3c—O9vi61.18 (13)W4—O10—Ag3158.0 (7)
Ag3—Rb3c—O9vi77.7 (6)Rb2—O10—Ag38.1 (8)
Ag3iii—Rb3c—O9vi141.7 (5)Rb2vi—O10—Ag382.7 (7)
O5viii—Rb3c—O9vi96.86 (18)Rb1—O10—Ag392.8 (8)
W4ix—Rb3c—O9vi126.3 (3)Ag3vi—O10—Ag387.1 (10)
W4v—Rb3c—O9vi58.20 (9)W4—O10—Rb2vii92.37 (13)
Scvi—Rb3c—O9vi73.85 (14)Rb2—O10—Rb2vii71.75 (8)
Rb2—Rb3c—O9vi75.55 (8)Rb2vi—O10—Rb2vii144.59 (12)
Rb2iii—Rb3c—O9vi141.0 (2)Rb1—O10—Rb2vii98.75 (9)
O3—Rb3c—O9vi113.11 (10)Ag3vi—O10—Rb2vii141.7 (6)
O3iii—Rb3c—O9vi153.6 (2)Ag3—O10—Rb2vii72.7 (6)
O9x—Rb3c—O9vi87.5 (2)W4—O11—Ag2iv154.1 (2)
Rb3b—Rb3d—O9ix92.6 (12)W4—O11—Rb1xix103.25 (14)
Rb3a—Rb3d—O9ix93.2 (9)Ag2iv—O11—Rb1xix94.01 (11)
Rb3bxvii—Rb3d—O9ix93.5 (8)W4—O11—Rb192.20 (13)
Rb3cxvii—Rb3d—O9ix93.4 (7)Ag2iv—O11—Rb185.92 (11)
Rb3b—Rb3d—O9v92.6 (12)Rb1xix—O11—Rb1141.36 (12)
Rb3a—Rb3d—O9v93.2 (9)W4—O12—Sc141.76 (16)
Rb3bxvii—Rb3d—O9v93.5 (8)W4—O12—Rb3axv106.18 (12)
Rb3cxvii—Rb3d—O9v93.4 (7)Sc—O12—Rb3axv102.61 (11)
O9ix—Rb3d—O9v146.5 (18)W4—O12—Rb3bvi111.0 (3)
O9ix—Rb3d—O12vi134.9 (12)Sc—O12—Rb3bvi101.3 (3)
O9v—Rb3d—O12vi77.2 (4)Rb3axv—O12—Rb3bvi9.2 (4)
O9ix—Rb3d—O12x77.2 (4)W4—O12—Rb3bxv101.1 (3)
O9v—Rb3d—O12x134.9 (12)Sc—O12—Rb3bxv103.6 (3)
O12vi—Rb3d—O12x58.0 (8)Rb3axv—O12—Rb3bxv9.1 (4)
O9ix—Rb3d—O5viii104.3 (9)Rb3bvi—O12—Rb3bxv18.2 (8)
O9v—Rb3d—O5viii104.3 (9)W4—O12—Rb3cvi117.33 (18)
O12vi—Rb3d—O5viii53.5 (8)Sc—O12—Rb3cvi98.47 (15)
O12x—Rb3d—O5viii53.5 (8)Rb3axv—O12—Rb3cvi21.69 (18)
O9ix—Rb3d—O12ix53.8 (6)Rb3bvi—O12—Rb3cvi12.5 (4)
O9v—Rb3d—O12ix104.6 (12)Rb3bxv—O12—Rb3cvi30.7 (5)
O12vi—Rb3d—O12ix122.9 (11)W4—O12—Ag3vi97.9 (8)
O12x—Rb3d—O12ix96.7 (7)Sc—O12—Ag3vi106.5 (6)
O5viii—Rb3d—O12ix148.7 (8)Rb3axv—O12—Ag3vi90.4 (8)
O9ix—Rb3d—O12v104.6 (12)Rb3bvi—O12—Ag3vi82.1 (9)
O9v—Rb3d—O12v53.8 (6)Rb3bxv—O12—Ag3vi98.7 (9)
O12vi—Rb3d—O12v96.7 (7)Rb3cvi—O12—Ag3vi71.0 (9)
O12x—Rb3d—O12v122.9 (11)W4—O12—Rb3dvi121.3 (6)
Rb3dxvii—Rb3d—O12v56.4 (13)Sc—O12—Rb3dvi96.0 (6)
O5viii—Rb3d—O12v148.7 (8)Rb3axv—O12—Rb3dvi30.0 (7)
O12ix—Rb3d—O12v52.2 (7)Rb3bvi—O12—Rb3dvi20.9 (8)
O9ix—Rb3d—O3109.5 (9)Rb3bxv—O12—Rb3dvi39.1 (8)
O9v—Rb3d—O363.6 (5)Rb3cvi—O12—Rb3dvi8.4 (8)
O12vi—Rb3d—O3100.4 (9)Ag3vi—O12—Rb3dvi63.9 (10)
O12x—Rb3d—O3125.1 (14)W4—O12—Rb3cxv94.12 (15)
O5viii—Rb3d—O372.7 (8)Sc—O12—Rb3cxv104.90 (14)
O12ix—Rb3d—O3132.2 (14)Rb3axv—O12—Rb3cxv20.44 (17)
O12v—Rb3d—O3108.3 (8)Rb3bvi—O12—Rb3cxv29.6 (5)
O9ix—Rb3d—O3iii63.6 (5)Rb3bxv—O12—Rb3cxv11.4 (4)
O9v—Rb3d—O3iii109.5 (9)Rb3cvi—O12—Rb3cxv42.1 (3)
O12vi—Rb3d—O3iii125.1 (14)Ag3vi—O12—Rb3cxv108.7 (8)
O12x—Rb3d—O3iii100.4 (9)Rb3dvi—O12—Rb3cxv50.5 (6)
O5viii—Rb3d—O3iii72.7 (8)W4—O12—Rb2vi92.95 (11)
O12ix—Rb3d—O3iii108.3 (8)Sc—O12—Rb2vi107.72 (11)
O12v—Rb3d—O3iii132.2 (14)Rb3axv—O12—Rb2vi97.56 (9)
O3—Rb3d—O3iii48.0 (5)Rb3bvi—O12—Rb2vi89.4 (4)
O4ii—Ag1—O4175.6 (2)Rb3bxv—O12—Rb2vi105.6 (5)
O4ii—Ag1—O7iv90.74 (4)Rb3cvi—O12—Rb2vi78.56 (17)
O4—Ag1—O7iv90.74 (4)Ag3vi—O12—Rb2vi7.8 (9)
O4ii—Ag1—O7xii90.74 (4)Rb3dvi—O12—Rb2vi71.6 (5)
O4—Ag1—O7xii90.74 (4)Rb3cxv—O12—Rb2vi115.21 (18)
O7iv—Ag1—O7xii140.76 (17)W4—O12—Rb3dxv89.7 (3)
O4ii—Ag1—O188.05 (11)Sc—O12—Rb3dxv105.7 (4)
O4—Ag1—O188.05 (11)Rb3axv—O12—Rb3dxv27.0 (6)
O7iv—Ag1—O181.32 (11)Rb3bvi—O12—Rb3dxv36.2 (7)
O7xii—Ag1—O1137.92 (12)Rb3bxv—O12—Rb3dxv18.0 (8)
O4ii—Ag1—O1i88.05 (11)Rb3cvi—O12—Rb3dxv48.7 (6)
O4—Ag1—O1i88.05 (11)Ag3vi—O12—Rb3dxv114.3 (10)
O7iv—Ag1—O1i137.92 (12)Rb3dvi—O12—Rb3dxv57.1 (11)
O7xii—Ag1—O1i81.32 (11)Rb3cxv—O12—Rb3dxv6.6 (7)
O1—Ag1—O1i56.61 (16)Rb2vi—O12—Rb3dxv120.4 (7)
Symmetry codes: (i) x+1, y, z+3/2; (ii) x, y, z+3/2; (iii) x+1, y, z; (iv) x+1/2, y1/2, z+3/2; (v) x+1/2, y+1/2, z; (vi) x+1/2, y+1/2, z+1; (vii) x, y, z+1; (viii) x+1, y, z+1; (ix) x+1/2, y+1/2, z; (x) x+1/2, y+1/2, z+1; (xi) x, y+1, z; (xii) x+1/2, y1/2, z; (xiii) x+1/2, y+1/2, z+3/2; (xiv) x1/2, y+1/2, z; (xv) x1/2, y1/2, z; (xvi) x, y, z; (xvii) x+1, y+1, z+1; (xviii) x, y1, z; (xix) x+1/2, y1/2, z.
 

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