The discovery of numerous endemic anhydrous sulfate minerals in fumaroles of the Tolbachik volcano (Kamchatka, Russia) has revived interest in the whole family of anhydrous sulfates. Herein is reported the crystal structure of Cs
2Cu(SO
4)
2 which adds important data on the `final' contributor with the largest
A+ cation to the
A2[Cu(SO
4)
2] morphotropic series (
A = Na, K, Rb, Cs), the `initial' structurally characterized representative of this family being saranchinaite Na
2Cu(SO
4)
2. With increasing ionic radius of the alkali metal cation(s), embedded in the [Cu(SO
4)
2]
2− framework, symmetry-breaking transformations occur. Cs
2Cu(SO
4)
2, which is here designated as the
-phase, has a layered structure. Cs
2Co
2(SO
4)
3 is a new representative of another morphotropic series of the orthorhombic
A2[
M2+2(SO
4)
3] family, being also the first anhydrous Cs–Co sulfate. Structural relationships in
A+2M2+(SO
4)
2 and
A+2M2+2(SO
4)
3 morphotropic series are discussed in detail.
Supporting information
CCDC references: 2103648; 2104096
For both structures, program(s) used to solve structure: SHELXT 2014/5 (Sheldrick, 2014); program(s) used to refine structure: SHELXL2018/3 (Sheldrick, 2018).
Crystal data top
CsCu0.50O4S | F(000) = 940 |
Mr = 260.74 | Dx = 3.721 Mg m−3 |
Monoclinic, P21/n | Ag Kα radiation, λ = 0.56086 Å |
a = 9.685 (3) Å | Cell parameters from 1854 reflections |
b = 7.920 (3) Å | θ = 2.2–26.3° |
c = 12.141 (4) Å | µ = 5.54 mm−1 |
β = 91.416 (8)° | T = 296 K |
V = 931.0 (5) Å3 | Prism |
Z = 8 | |
Data collection top
Bruker Apex 2 Duo diffractometer | θmax = 26.3°, θmin = 2.2° |
16754 measured reflections | h = −15→8 |
3770 independent reflections | k = −12→11 |
2389 reflections with I > 2σ(I) | l = −19→19 |
Rint = 0.068 | |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0388P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.042 | (Δ/σ)max = 0.001 |
wR(F2) = 0.103 | Δρmax = 1.43 e Å−3 |
S = 1.01 | Δρmin = −1.77 e Å−3 |
3770 reflections | Extinction correction: SHELXL-2018/3 (Sheldrick 2018), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
119 parameters | Extinction coefficient: 0.0016 (3) |
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 | x | y | z | Uiso*/Ueq | |
Cs1 | −0.03376 (4) | 0.74054 (5) | 0.60208 (3) | 0.03196 (11) | |
Cs2 | 0.42200 (4) | −0.12135 (5) | 0.65571 (3) | 0.03402 (12) | |
Cu1 | 0.63139 (7) | 0.45695 (8) | 0.61755 (5) | 0.02345 (15) | |
S1 | 0.31932 (14) | 0.38850 (15) | 0.60080 (10) | 0.0205 (2) | |
S2 | 0.78144 (14) | 0.18849 (17) | 0.63783 (10) | 0.0231 (3) | |
O1 | 0.3407 (4) | 0.3470 (5) | 0.4815 (3) | 0.0291 (8) | |
O2 | 0.8266 (4) | 0.3673 (5) | 0.6228 (4) | 0.0353 (10) | |
O3 | 0.4379 (4) | 0.4980 (5) | 0.6355 (4) | 0.0361 (10) | |
O4 | 0.3180 (5) | 0.2360 (5) | 0.6656 (4) | 0.0395 (11) | |
O5 | 0.1951 (4) | 0.4882 (6) | 0.6119 (3) | 0.0337 (9) | |
O6 | 0.6282 (4) | 0.2073 (5) | 0.6439 (4) | 0.0387 (10) | |
O7 | 0.8174 (6) | 0.0868 (6) | 0.5439 (4) | 0.0520 (13) | |
O8 | 0.8391 (6) | 0.1226 (7) | 0.7389 (4) | 0.0632 (17) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cs1 | 0.0268 (2) | 0.0319 (2) | 0.0374 (2) | 0.00395 (14) | 0.00402 (14) | 0.00313 (14) |
Cs2 | 0.0384 (3) | 0.02745 (19) | 0.0363 (2) | 0.00403 (15) | 0.00209 (16) | −0.00492 (14) |
Cu1 | 0.0190 (4) | 0.0225 (3) | 0.0288 (3) | −0.0003 (2) | −0.0005 (2) | 0.0001 (2) |
S1 | 0.0174 (6) | 0.0206 (6) | 0.0237 (6) | 0.0016 (5) | 0.0029 (5) | 0.0034 (4) |
S2 | 0.0198 (7) | 0.0263 (6) | 0.0232 (6) | 0.0012 (5) | −0.0003 (5) | 0.0067 (5) |
O1 | 0.037 (3) | 0.0266 (19) | 0.0241 (18) | 0.0061 (17) | 0.0061 (15) | 0.0007 (14) |
O2 | 0.021 (2) | 0.029 (2) | 0.055 (3) | −0.0035 (16) | −0.0014 (18) | 0.0108 (18) |
O3 | 0.024 (2) | 0.029 (2) | 0.055 (3) | −0.0009 (17) | 0.0045 (18) | −0.0172 (18) |
O4 | 0.045 (3) | 0.029 (2) | 0.044 (2) | 0.0009 (19) | 0.006 (2) | 0.0182 (18) |
O5 | 0.022 (2) | 0.047 (3) | 0.032 (2) | 0.0132 (19) | 0.0032 (16) | 0.0018 (18) |
O6 | 0.022 (2) | 0.028 (2) | 0.066 (3) | 0.0038 (17) | 0.006 (2) | 0.003 (2) |
O7 | 0.062 (4) | 0.040 (3) | 0.055 (3) | 0.016 (2) | 0.016 (2) | −0.007 (2) |
O8 | 0.065 (4) | 0.075 (4) | 0.049 (3) | −0.003 (3) | −0.021 (3) | 0.041 (3) |
Geometric parameters (Å, º) top
Cs1—O5 | 2.985 (4) | Cs2—Cu1vi | 3.9405 (13) |
Cs1—O7i | 3.096 (6) | Cs2—S2viii | 4.0552 (16) |
Cs1—O7ii | 3.170 (5) | Cs2—S1vi | 4.0582 (18) |
Cs1—O1iii | 3.194 (4) | Cs2—S2ix | 4.0643 (17) |
Cs1—O6iv | 3.250 (5) | Cu1—O3 | 1.919 (4) |
Cs1—O2v | 3.263 (4) | Cu1—O1i | 1.986 (4) |
Cs1—O4iv | 3.469 (5) | Cu1—O6 | 2.003 (4) |
Cs1—O5iii | 3.504 (4) | Cu1—O2 | 2.019 (4) |
Cs1—O2i | 3.532 (5) | Cu1—O8x | 2.195 (4) |
Cs1—O8ii | 3.679 (7) | Cu1—S2 | 2.5837 (16) |
Cs1—O8iv | 3.691 (7) | Cu1—S1i | 2.9692 (16) |
Cs1—S1iii | 3.7979 (16) | Cu1—S1 | 3.0724 (18) |
Cs1—O3iv | 3.876 (5) | Cu1—O3i | 3.149 (4) |
Cs1—S2i | 3.8888 (16) | Cu1—O5i | 3.318 (4) |
Cs1—Cu1iv | 3.9469 (13) | Cu1—O1 | 3.344 (4) |
Cs1—Cu1v | 3.9531 (12) | Cu1—O4 | 3.564 (5) |
Cs2—O4 | 3.008 (4) | Cu1—O7 | 3.566 (5) |
Cs2—O3vi | 3.029 (4) | Cu1—S2x | 3.5738 (16) |
Cs2—O5vii | 3.187 (4) | Cu1—O8 | 3.617 (5) |
Cs2—O6 | 3.286 (4) | Cu1—Cu1i | 3.8380 (15) |
Cs2—O8viii | 3.310 (6) | S1—O4 | 1.441 (4) |
Cs2—O7ix | 3.323 (5) | S1—O5 | 1.448 (4) |
Cs2—O1ix | 3.383 (4) | S1—O3 | 1.492 (4) |
Cs2—O4vii | 3.411 (5) | S1—O1 | 1.504 (4) |
Cs2—O2viii | 3.584 (4) | S2—O8 | 1.434 (4) |
Cs2—O6ix | 3.721 (5) | S2—O7 | 1.446 (5) |
Cs2—S1vii | 3.8143 (16) | S2—O2 | 1.495 (4) |
Cs2—O5vi | 3.823 (5) | S2—O6 | 1.495 (5) |
| | | |
O5—Cs1—O7i | 78.83 (13) | Cu1i—S1—Cs1iii | 70.27 (3) |
O5—Cs1—O7ii | 157.14 (13) | Cu1—S1—Cs1iii | 142.17 (4) |
O7i—Cs1—O7ii | 78.51 (15) | O4—S1—Cs2iv | 63.0 (2) |
O5—Cs1—O1iii | 123.49 (11) | O5—S1—Cs2iv | 54.01 (16) |
O7i—Cs1—O1iii | 123.50 (12) | O3—S1—Cs2iv | 105.97 (17) |
O7ii—Cs1—O1iii | 72.68 (12) | O1—S1—Cs2iv | 147.48 (17) |
O5—Cs1—O6iv | 97.70 (11) | Cu1i—S1—Cs2iv | 144.64 (4) |
O7i—Cs1—O6iv | 142.14 (12) | Cu1—S1—Cs2iv | 124.96 (4) |
O7ii—Cs1—O6iv | 98.30 (12) | Cs1iii—S1—Cs2iv | 92.68 (4) |
O1iii—Cs1—O6iv | 90.14 (10) | O4—S1—Cs2xi | 135.8 (2) |
O5—Cs1—O2v | 72.49 (12) | O5—S1—Cs2xi | 70.36 (19) |
O7i—Cs1—O2v | 137.05 (12) | O3—S1—Cs2xi | 38.16 (16) |
O7ii—Cs1—O2v | 127.86 (13) | O1—S1—Cs2xi | 109.15 (16) |
O1iii—Cs1—O2v | 56.18 (10) | Cu1i—S1—Cs2xi | 73.04 (3) |
O6iv—Cs1—O2v | 74.14 (11) | Cu1—S1—Cs2xi | 65.40 (3) |
O5—Cs1—O4iv | 61.87 (10) | Cs1iii—S1—Cs2xi | 122.38 (3) |
O7i—Cs1—O4iv | 93.85 (13) | Cs2iv—S1—Cs2xi | 92.56 (3) |
O7ii—Cs1—O4iv | 116.85 (11) | O4—S1—Cs2 | 27.74 (19) |
O1iii—Cs1—O4iv | 142.52 (10) | O5—S1—Cs2 | 134.59 (19) |
O6iv—Cs1—O4iv | 53.52 (11) | O3—S1—Cs2 | 109.61 (17) |
O2v—Cs1—O4iv | 99.83 (10) | O1—S1—Cs2 | 84.58 (15) |
O5—Cs1—O5iii | 90.05 (10) | Cu1i—S1—Cs2 | 119.63 (4) |
O7i—Cs1—O5iii | 95.72 (12) | Cu1—S1—Cs2 | 86.02 (3) |
O7ii—Cs1—O5iii | 95.15 (12) | Cs1iii—S1—Cs2 | 90.57 (3) |
O1iii—Cs1—O5iii | 42.04 (9) | Cs2iv—S1—Cs2 | 90.26 (3) |
O6iv—Cs1—O5iii | 122.09 (10) | Cs2xi—S1—Cs2 | 146.71 (4) |
O2v—Cs1—O5iii | 53.88 (10) | O4—S1—Cs1vii | 47.28 (19) |
O4iv—Cs1—O5iii | 147.84 (10) | O5—S1—Cs1vii | 117.21 (16) |
O5—Cs1—O2i | 55.51 (10) | O3—S1—Cs1vii | 64.33 (18) |
O7i—Cs1—O2i | 42.18 (11) | O1—S1—Cs1vii | 132.53 (16) |
O7ii—Cs1—O2i | 107.50 (12) | Cu1i—S1—Cs1vii | 141.24 (5) |
O1iii—Cs1—O2i | 104.12 (10) | Cu1—S1—Cs1vii | 62.39 (3) |
O6iv—Cs1—O2i | 153.20 (10) | Cs1iii—S1—Cs1vii | 143.43 (4) |
O2v—Cs1—O2i | 94.87 (10) | Cs2iv—S1—Cs1vii | 68.60 (3) |
O4iv—Cs1—O2i | 106.48 (11) | Cs2xi—S1—Cs1vii | 90.66 (3) |
O5iii—Cs1—O2i | 63.47 (10) | Cs2—S1—Cs1vii | 59.736 (18) |
O5—Cs1—O8ii | 142.11 (11) | O4—S1—Cs1 | 120.7 (2) |
O7i—Cs1—O8ii | 97.70 (12) | O5—S1—Cs1 | 7.90 (17) |
O7ii—Cs1—O8ii | 39.97 (11) | O3—S1—Cs1 | 102.90 (17) |
O1iii—Cs1—O8ii | 90.16 (11) | O1—S1—Cs1 | 105.45 (15) |
O6iv—Cs1—O8ii | 62.14 (10) | Cu1i—S1—Cs1 | 83.36 (3) |
O2v—Cs1—O8ii | 124.50 (12) | Cu1—S1—Cs1 | 130.50 (4) |
O4iv—Cs1—O8ii | 80.96 (10) | Cs1iii—S1—Cs1 | 67.69 (3) |
O5iii—Cs1—O8ii | 127.73 (10) | Cs2iv—S1—Cs1 | 61.34 (2) |
O2i—Cs1—O8ii | 138.65 (10) | Cs2xi—S1—Cs1 | 65.28 (3) |
O5—Cs1—O8iv | 114.42 (13) | Cs2—S1—Cs1 | 141.81 (3) |
O7i—Cs1—O8iv | 166.76 (13) | Cs1vii—S1—Cs1 | 122.00 (3) |
O7ii—Cs1—O8iv | 88.26 (14) | O8—S2—O7 | 112.1 (3) |
O1iii—Cs1—O8iv | 50.20 (10) | O8—S2—O2 | 109.9 (3) |
O6iv—Cs1—O8iv | 40.10 (10) | O7—S2—O2 | 110.8 (3) |
O2v—Cs1—O8iv | 52.53 (11) | O8—S2—O6 | 111.1 (3) |
O4iv—Cs1—O8iv | 92.66 (11) | O7—S2—O6 | 110.7 (3) |
O5iii—Cs1—O8iv | 84.76 (9) | O2—S2—O6 | 101.8 (2) |
O2i—Cs1—O8iv | 145.16 (10) | O8—S2—Cu1 | 125.9 (3) |
O8ii—Cs1—O8iv | 71.97 (8) | O7—S2—Cu1 | 121.9 (2) |
O5—Cs1—S1iii | 111.97 (9) | O2—S2—Cu1 | 51.26 (17) |
O7i—Cs1—S1iii | 103.89 (10) | O6—S2—Cu1 | 50.65 (17) |
O7ii—Cs1—S1iii | 76.60 (10) | O8—S2—Cu1viii | 12.3 (2) |
O1iii—Cs1—S1iii | 22.81 (7) | O7—S2—Cu1viii | 108.3 (2) |
O6iv—Cs1—S1iii | 112.10 (8) | O2—S2—Cu1viii | 121.60 (18) |
O2v—Cs1—S1iii | 60.63 (8) | O6—S2—Cu1viii | 102.99 (19) |
O4iv—Cs1—S1iii | 159.89 (8) | Cu1—S2—Cu1viii | 128.48 (5) |
O5iii—Cs1—S1iii | 22.41 (7) | O8—S2—Cs1i | 117.1 (3) |
O2i—Cs1—S1iii | 81.50 (7) | O7—S2—Cs1i | 47.3 (2) |
O8ii—Cs1—S1iii | 105.52 (8) | O2—S2—Cs1i | 65.18 (18) |
O8iv—Cs1—S1iii | 72.01 (7) | O6—S2—Cs1i | 131.70 (19) |
O5—Cs1—O3iv | 99.01 (10) | Cu1—S2—Cs1i | 99.91 (4) |
O7i—Cs1—O3iv | 94.96 (11) | Cu1viii—S2—Cs1i | 123.83 (4) |
O7ii—Cs1—O3iv | 80.01 (11) | O8—S2—Cs1xii | 66.7 (3) |
O1iii—Cs1—O3iv | 125.29 (9) | O7—S2—Cs1xii | 45.9 (2) |
O6iv—Cs1—O3iv | 47.91 (10) | O2—S2—Cs1xii | 133.92 (18) |
O2v—Cs1—O3iv | 120.31 (10) | O6—S2—Cs1xii | 122.75 (18) |
O4iv—Cs1—O3iv | 37.80 (9) | Cu1—S2—Cs1xii | 166.21 (5) |
O5iii—Cs1—O3iv | 167.15 (9) | Cu1viii—S2—Cs1xii | 62.50 (3) |
O2i—Cs1—O3iv | 129.30 (9) | Cs1i—S2—Cs1xii | 75.87 (3) |
O8ii—Cs1—O3iv | 43.30 (9) | O8—S2—Cs1vii | 66.0 (3) |
O8iv—Cs1—O3iv | 83.21 (9) | O7—S2—Cs1vii | 146.5 (2) |
S1iii—Cs1—O3iv | 146.14 (7) | O2—S2—Cs1vii | 100.40 (19) |
O5—Cs1—S2i | 69.33 (8) | O6—S2—Cs1vii | 48.79 (19) |
O7i—Cs1—S2i | 20.07 (9) | Cu1—S2—Cs1vii | 69.30 (4) |
O7ii—Cs1—S2i | 89.93 (10) | Cu1viii—S2—Cs1vii | 62.27 (3) |
O1iii—Cs1—S2i | 112.99 (7) | Cs1i—S2—Cs1vii | 165.57 (4) |
O6iv—Cs1—S2i | 156.86 (8) | Cs1xii—S2—Cs1vii | 116.85 (3) |
O2v—Cs1—S2i | 117.25 (9) | O8—S2—Cs2x | 49.5 (2) |
O4iv—Cs1—S2i | 103.50 (9) | O7—S2—Cs2x | 120.9 (2) |
O5iii—Cs1—S2i | 78.25 (7) | O2—S2—Cs2x | 61.24 (17) |
O2i—Cs1—S2i | 22.58 (7) | O6—S2—Cs2x | 128.41 (19) |
O8ii—Cs1—S2i | 116.29 (9) | Cu1—S2—Cs2x | 98.13 (5) |
O8iv—Cs1—S2i | 162.68 (7) | Cu1viii—S2—Cs2x | 61.82 (3) |
S1iii—Cs1—S2i | 90.81 (4) | Cs1i—S2—Cs2x | 87.75 (4) |
O3iv—Cs1—S2i | 113.42 (7) | Cs1xii—S2—Cs2x | 94.84 (3) |
O5—Cs1—Cu1iv | 116.72 (7) | Cs1vii—S2—Cs2x | 84.49 (4) |
O7i—Cs1—Cu1iv | 118.80 (9) | O8—S2—Cs2ix | 150.8 (2) |
O7ii—Cs1—Cu1iv | 72.50 (9) | O7—S2—Cs2ix | 49.9 (2) |
O1iii—Cs1—Cu1iv | 97.33 (7) | O2—S2—Cs2ix | 98.84 (17) |
O6iv—Cs1—Cu1iv | 30.40 (8) | O6—S2—Cs2ix | 66.17 (19) |
O2v—Cs1—Cu1iv | 102.62 (8) | Cu1—S2—Cs2ix | 76.39 (3) |
O4iv—Cs1—Cu1iv | 57.01 (7) | Cu1viii—S2—Cs2ix | 139.56 (4) |
O5iii—Cs1—Cu1iv | 138.78 (7) | Cs1i—S2—Cs2ix | 70.25 (3) |
O2i—Cs1—Cu1iv | 157.55 (7) | Cs1xii—S2—Cs2ix | 89.85 (3) |
O8ii—Cs1—Cu1iv | 33.21 (7) | Cs1vii—S2—Cs2ix | 114.52 (4) |
O8iv—Cs1—Cu1iv | 56.40 (7) | Cs2x—S2—Cs2ix | 155.67 (4) |
S1iii—Cs1—Cu1iv | 119.34 (3) | O8—S2—Cs2 | 92.8 (2) |
O3iv—Cs1—Cu1iv | 28.39 (6) | O7—S2—Cs2 | 86.1 (2) |
S2i—Cs1—Cu1iv | 138.73 (3) | O2—S2—Cs2 | 142.40 (18) |
O5—Cs1—Cu1v | 103.12 (9) | O6—S2—Cs2 | 40.82 (17) |
O7i—Cs1—Cu1v | 147.76 (10) | Cu1—S2—Cs2 | 91.17 (5) |
O7ii—Cs1—Cu1v | 97.64 (11) | Cu1viii—S2—Cs2 | 80.73 (3) |
O1iii—Cs1—Cu1v | 29.94 (7) | Cs1i—S2—Cs2 | 130.50 (4) |
O6iv—Cs1—Cu1v | 70.02 (8) | Cs1xii—S2—Cs2 | 82.15 (3) |
O2v—Cs1—Cu1v | 30.63 (8) | Cs1vii—S2—Cs2 | 61.15 (2) |
O4iv—Cs1—Cu1v | 115.72 (8) | Cs2x—S2—Cs2 | 138.42 (3) |
O5iii—Cs1—Cu1v | 52.41 (7) | Cs2ix—S2—Cs2 | 65.87 (3) |
O2i—Cs1—Cu1v | 112.44 (7) | S1—O1—Cu1i | 115.9 (2) |
O8ii—Cs1—Cu1v | 99.31 (9) | S1—O1—Cs1iii | 101.79 (19) |
O8iv—Cs1—Cu1v | 33.14 (7) | Cu1i—O1—Cs1iii | 96.71 (14) |
S1iii—Cs1—Cu1v | 44.99 (2) | S1—O1—Cu1 | 66.54 (15) |
O3iv—Cs1—Cu1v | 116.10 (6) | Cu1i—O1—Cu1 | 88.29 (14) |
S2i—Cs1—Cu1v | 130.48 (3) | Cs1iii—O1—Cu1 | 168.31 (13) |
Cu1iv—Cs1—Cu1v | 89.509 (18) | S1—O1—Cs2ix | 134.5 (2) |
O4—Cs2—O3vi | 163.26 (12) | Cu1i—O1—Cs2ix | 90.59 (13) |
O4—Cs2—O5vii | 65.27 (11) | Cs1iii—O1—Cs2ix | 111.53 (11) |
O3vi—Cs2—O5vii | 111.25 (12) | Cu1—O1—Cs2ix | 78.86 (9) |
O4—Cs2—O6 | 57.38 (12) | S1—O1—Cs2 | 75.21 (14) |
O3vi—Cs2—O6 | 138.82 (11) | Cu1i—O1—Cs2 | 159.86 (17) |
O5vii—Cs2—O6 | 93.05 (11) | Cs1iii—O1—Cs2 | 97.22 (9) |
O4—Cs2—O8viii | 142.44 (12) | Cu1—O1—Cs2 | 80.86 (8) |
O3vi—Cs2—O8viii | 52.06 (11) | Cs2ix—O1—Cs2 | 70.76 (7) |
O5vii—Cs2—O8viii | 94.90 (12) | S1—O1—Cs2xi | 53.52 (13) |
O6—Cs2—O8viii | 94.72 (13) | Cu1i—O1—Cs2xi | 63.59 (10) |
O4—Cs2—O7ix | 73.93 (12) | Cs1iii—O1—Cs2xi | 118.36 (10) |
O3vi—Cs2—O7ix | 93.38 (12) | Cu1—O1—Cs2xi | 54.78 (6) |
O5vii—Cs2—O7ix | 111.46 (11) | Cs2ix—O1—Cs2xi | 125.33 (11) |
O6—Cs2—O7ix | 108.46 (12) | Cs2—O1—Cs2xi | 120.90 (8) |
O8viii—Cs2—O7ix | 143.20 (11) | S1—O1—Cs1 | 57.79 (14) |
O4—Cs2—O1ix | 138.52 (11) | Cu1i—O1—Cs1 | 78.57 (11) |
O3vi—Cs2—O1ix | 52.96 (10) | Cs1iii—O1—Cs1 | 63.55 (7) |
O5vii—Cs2—O1ix | 147.24 (10) | Cu1—O1—Cs1 | 107.43 (9) |
O6—Cs2—O1ix | 88.62 (11) | Cs2ix—O1—Cs1 | 167.12 (10) |
O8viii—Cs2—O1ix | 52.39 (11) | Cs2—O1—Cs1 | 120.83 (8) |
O7ix—Cs2—O1ix | 98.89 (10) | Cs2xi—O1—Cs1 | 55.66 (4) |
O4—Cs2—O4vii | 92.98 (8) | S1—O1—Cs2iv | 23.48 (13) |
O3vi—Cs2—O4vii | 76.04 (11) | Cu1i—O1—Cs2iv | 123.90 (14) |
O5vii—Cs2—O4vii | 42.60 (10) | Cs1iii—O1—Cs2iv | 78.85 (8) |
O6—Cs2—O4vii | 135.60 (10) | Cu1—O1—Cs2iv | 89.58 (8) |
O8viii—Cs2—O4vii | 91.84 (14) | Cs2ix—O1—Cs2iv | 143.47 (10) |
O7ix—Cs2—O4vii | 90.98 (13) | Cs2—O1—Cs2iv | 73.24 (6) |
O1ix—Cs2—O4vii | 128.34 (10) | Cs2xi—O1—Cs2iv | 69.95 (5) |
O4—Cs2—O2viii | 102.46 (11) | Cs1—O1—Cs2iv | 49.10 (4) |
O3vi—Cs2—O2viii | 90.04 (10) | S2—O2—Cu1 | 93.5 (2) |
O5vii—Cs2—O2viii | 65.97 (10) | S2—O2—Cs1xiii | 172.2 (2) |
O6—Cs2—O2viii | 69.53 (10) | Cu1—O2—Cs1xiii | 93.93 (14) |
O8viii—Cs2—O2viii | 40.46 (10) | S2—O2—Cs1i | 92.2 (2) |
O7ix—Cs2—O2viii | 176.34 (10) | Cu1—O2—Cs1i | 127.60 (18) |
O1ix—Cs2—O2viii | 84.21 (10) | Cs1xiii—O2—Cs1i | 85.13 (10) |
O4vii—Cs2—O2viii | 88.59 (11) | S2—O2—Cs2x | 97.32 (18) |
O4—Cs2—O6ix | 100.10 (11) | Cu1—O2—Cs2x | 129.26 (19) |
O3vi—Cs2—O6ix | 75.19 (11) | Cs1xiii—O2—Cs2x | 76.10 (9) |
O5vii—Cs2—O6ix | 150.97 (10) | Cs1i—O2—Cs2x | 101.40 (11) |
O6—Cs2—O6ix | 99.62 (10) | S2—O2—Cu1viii | 42.11 (14) |
O8viii—Cs2—O6ix | 109.82 (10) | Cu1—O2—Cu1viii | 109.96 (15) |
O7ix—Cs2—O6ix | 39.66 (10) | Cs1xiii—O2—Cu1viii | 132.21 (12) |
O1ix—Cs2—O6ix | 59.72 (9) | Cs1i—O2—Cu1viii | 108.72 (10) |
O4vii—Cs2—O6ix | 119.11 (10) | Cs2x—O2—Cu1viii | 56.58 (6) |
O2viii—Cs2—O6ix | 143.03 (10) | S2—O2—Cs2ix | 62.18 (16) |
O4—Cs2—S1vii | 74.79 (9) | Cu1—O2—Cs2ix | 69.43 (12) |
O3vi—Cs2—S1vii | 96.69 (9) | Cs1xiii—O2—Cs2ix | 122.99 (11) |
O5vii—Cs2—S1vii | 21.57 (7) | Cs1i—O2—Cs2ix | 67.77 (8) |
O6—Cs2—S1vii | 113.73 (8) | Cs2x—O2—Cs2ix | 155.14 (12) |
O8viii—Cs2—S1vii | 98.56 (11) | Cu1viii—O2—Cs2ix | 104.29 (8) |
O7ix—Cs2—S1vii | 97.68 (10) | S2—O2—Cs1vii | 60.74 (16) |
O1ix—Cs2—S1vii | 146.03 (7) | Cu1—O2—Cs1vii | 60.01 (11) |
O4vii—Cs2—S1vii | 22.12 (7) | Cs1xiii—O2—Cs1vii | 121.58 (12) |
O2viii—Cs2—S1vii | 80.61 (8) | Cs1i—O2—Cs1vii | 152.98 (11) |
O6ix—Cs2—S1vii | 133.91 (7) | Cs2x—O2—Cs1vii | 83.04 (9) |
O4—Cs2—O5vi | 125.09 (11) | Cu1viii—O2—Cs1vii | 51.58 (5) |
O3vi—Cs2—O5vi | 38.17 (10) | Cs2ix—O2—Cs1vii | 97.09 (8) |
O5vii—Cs2—O5vi | 97.31 (7) | S2—O2—Cs1xii | 34.02 (14) |
O6—Cs2—O5vi | 169.26 (10) | Cu1—O2—Cs1xii | 125.74 (15) |
O8viii—Cs2—O5vi | 87.26 (11) | Cs1xiii—O2—Cs1xii | 139.39 (12) |
O7ix—Cs2—O5vi | 64.98 (11) | Cs1i—O2—Cs1xii | 64.83 (7) |
O1ix—Cs2—O5vi | 84.22 (9) | Cs2x—O2—Cs1xii | 83.48 (7) |
O4vii—Cs2—O5vi | 54.71 (9) | Cu1viii—O2—Cs1xii | 47.55 (4) |
O2viii—Cs2—O5vi | 117.48 (9) | Cs2ix—O2—Cs1xii | 71.67 (6) |
O6ix—Cs2—O5vi | 69.83 (9) | Cs1vii—O2—Cs1xii | 89.56 (7) |
S1vii—Cs2—O5vi | 76.30 (6) | S1—O3—Cu1 | 128.1 (2) |
O4—Cs2—Cu1vi | 167.45 (9) | S1—O3—Cs2xi | 124.1 (2) |
O3vi—Cs2—Cu1vi | 28.30 (8) | Cu1—O3—Cs2xi | 103.26 (16) |
O5vii—Cs2—Cu1vi | 122.03 (8) | S1—O3—Cu1i | 69.27 (16) |
O6—Cs2—Cu1vi | 110.55 (8) | Cu1—O3—Cu1i | 95.36 (16) |
O8viii—Cs2—Cu1vi | 33.84 (7) | Cs2xi—O3—Cu1i | 87.48 (12) |
O7ix—Cs2—Cu1vi | 109.62 (8) | S1—O3—Cs1vii | 95.4 (2) |
O1ix—Cs2—Cu1vi | 30.27 (6) | Cu1—O3—Cs1vii | 77.87 (14) |
O4vii—Cs2—Cu1vi | 98.91 (7) | Cs2xi—O3—Cs1vii | 117.95 (12) |
O2viii—Cs2—Cu1vi | 74.03 (7) | Cu1i—O3—Cs1vii | 154.50 (13) |
O6ix—Cs2—Cu1vi | 77.60 (7) | S1—O3—Cs2iv | 55.28 (15) |
S1vii—Cs2—Cu1vi | 115.82 (2) | Cu1—O3—Cs2iv | 143.84 (19) |
O5vi—Cs2—Cu1vi | 66.03 (6) | Cs2xi—O3—Cs2iv | 97.05 (10) |
O4—Cs2—S2viii | 123.89 (9) | Cu1i—O3—Cs2iv | 115.31 (11) |
O3vi—Cs2—S2viii | 69.13 (8) | Cs1vii—O3—Cs2iv | 66.19 (7) |
O5vii—Cs2—S2viii | 79.41 (8) | S1—O3—Cs2ix | 70.34 (15) |
O6—Cs2—S2viii | 84.22 (8) | Cu1—O3—Cs2ix | 61.39 (10) |
O8viii—Cs2—S2viii | 19.25 (7) | Cs2xi—O3—Cs2ix | 133.43 (13) |
O7ix—Cs2—S2viii | 162.17 (8) | Cu1i—O3—Cs2ix | 54.16 (6) |
O1ix—Cs2—S2viii | 68.21 (7) | Cs1vii—O3—Cs2ix | 102.14 (9) |
O4vii—Cs2—S2viii | 88.12 (9) | Cs2iv—O3—Cs2ix | 121.40 (9) |
O2viii—Cs2—S2viii | 21.44 (7) | S1—O3—Cs2 | 53.77 (15) |
O6ix—Cs2—S2viii | 127.58 (7) | Cu1—O3—Cs2 | 82.45 (13) |
S1vii—Cs2—S2viii | 88.09 (4) | Cs2xi—O3—Cs2 | 171.04 (13) |
O5vi—Cs2—S2viii | 100.45 (6) | Cu1i—O3—Cs2 | 98.95 (9) |
Cu1vi—Cs2—S2viii | 53.08 (2) | Cs1vii—O3—Cs2 | 56.02 (6) |
O4—Cs2—S1vi | 145.66 (10) | Cs2iv—O3—Cs2 | 74.59 (7) |
O3vi—Cs2—S1vi | 17.71 (8) | Cs2ix—O3—Cs2 | 55.36 (5) |
O5vii—Cs2—S1vi | 108.34 (8) | S1—O3—Cs1 | 60.07 (15) |
O6—Cs2—S1vi | 153.79 (8) | Cu1—O3—Cs1 | 162.81 (19) |
O8viii—Cs2—S1vi | 69.13 (9) | Cs2xi—O3—Cs1 | 64.71 (7) |
O7ix—Cs2—S1vi | 78.19 (9) | Cu1i—O3—Cs1 | 72.70 (8) |
O1ix—Cs2—S1vi | 65.19 (7) | Cs1vii—O3—Cs1 | 118.17 (10) |
O4vii—Cs2—S1vi | 67.65 (7) | Cs2iv—O3—Cs1 | 52.98 (5) |
O2viii—Cs2—S1vi | 104.98 (7) | Cs2ix—O3—Cs1 | 116.89 (8) |
O6ix—Cs2—S1vi | 68.82 (7) | Cs2—O3—Cs1 | 111.13 (8) |
S1vii—Cs2—S1vi | 89.69 (3) | S1—O4—Cs2 | 139.4 (3) |
O5vi—Cs2—S1vi | 20.89 (6) | S1—O4—Cs2iv | 94.9 (2) |
Cu1vi—Cs2—S1vi | 45.15 (3) | Cs2—O4—Cs2iv | 124.83 (13) |
S2viii—Cs2—S1vi | 85.02 (3) | S1—O4—Cs1vii | 114.9 (2) |
O4—Cs2—S2ix | 90.14 (9) | Cs2—O4—Cs1vii | 81.16 (10) |
O3vi—Cs2—S2ix | 79.83 (8) | Cs2iv—O4—Cs1vii | 83.44 (10) |
O5vii—Cs2—S2ix | 129.52 (8) | S1—O4—Cu1 | 58.68 (17) |
O6—Cs2—S2ix | 110.32 (8) | Cs2—O4—Cu1 | 99.67 (13) |
O8viii—Cs2—S2ix | 125.31 (8) | Cs2iv—O4—Cu1 | 122.55 (13) |
O7ix—Cs2—S2ix | 19.45 (8) | Cs1vii—O4—Cu1 | 68.26 (9) |
O1ix—Cs2—S2ix | 79.60 (7) | S1—O4—Cs1iii | 63.67 (17) |
O4vii—Cs2—S2ix | 101.03 (8) | Cs2—O4—Cs1iii | 102.94 (12) |
O2viii—Cs2—S2ix | 163.80 (7) | Cs2iv—O4—Cs1iii | 91.93 (11) |
O6ix—Cs2—S2ix | 21.56 (7) | Cs1vii—O4—Cs1iii | 175.07 (14) |
S1vii—Cs2—S2ix | 112.90 (4) | Cu1—O4—Cs1iii | 113.28 (10) |
O5vi—Cs2—S2ix | 60.52 (6) | S1—O4—Cu1i | 22.52 (14) |
Cu1vi—Cs2—S2ix | 91.48 (3) | Cs2—O4—Cu1i | 117.44 (13) |
S2viii—Cs2—S2ix | 144.49 (2) | Cs2iv—O4—Cu1i | 114.79 (11) |
S1vi—Cs2—S2ix | 67.62 (3) | Cs1vii—O4—Cu1i | 124.94 (12) |
O3—Cu1—O1i | 94.85 (18) | Cu1—O4—Cu1i | 58.05 (6) |
O3—Cu1—O6 | 97.48 (18) | Cs1iii—O4—Cu1i | 55.72 (5) |
O1i—Cu1—O6 | 150.55 (18) | S1—O4—Cs2ix | 72.65 (18) |
O3—Cu1—O2 | 166.38 (19) | Cs2—O4—Cs2ix | 66.74 (9) |
O1i—Cu1—O2 | 98.77 (17) | Cs2iv—O4—Cs2ix | 164.28 (12) |
O6—Cu1—O2 | 70.47 (17) | Cs1vii—O4—Cs2ix | 110.27 (12) |
O3—Cu1—O8x | 85.24 (19) | Cu1—O4—Cs2ix | 59.46 (7) |
O1i—Cu1—O8x | 89.8 (2) | Cs1iii—O4—Cs2ix | 74.11 (7) |
O6—Cu1—O8x | 117.8 (2) | Cu1i—O4—Cs2ix | 51.32 (5) |
O2—Cu1—O8x | 94.7 (2) | S1—O5—Cs1 | 168.3 (3) |
O3—Cu1—S2 | 132.59 (14) | S1—O5—Cs2iv | 104.42 (19) |
O1i—Cu1—S2 | 128.03 (12) | Cs1—O5—Cs2iv | 86.42 (10) |
O6—Cu1—S2 | 35.24 (13) | S1—O5—Cu1i | 63.50 (15) |
O2—Cu1—S2 | 35.27 (12) | Cs1—O5—Cu1i | 105.64 (12) |
O8x—Cu1—S2 | 110.76 (15) | Cs2iv—O5—Cu1i | 167.92 (14) |
O3—Cu1—S1i | 102.16 (14) | S1—O5—Cs1iii | 90.30 (19) |
O1i—Cu1—S1i | 27.11 (11) | Cs1—O5—Cs1iii | 89.95 (10) |
O6—Cu1—S1i | 123.56 (14) | Cs2iv—O5—Cs1iii | 110.72 (13) |
O2—Cu1—S1i | 90.11 (13) | Cu1i—O5—Cs1iii | 70.77 (8) |
O8x—Cu1—S1i | 116.22 (17) | S1—O5—Cs2xi | 88.7 (2) |
S2—Cu1—S1i | 108.77 (4) | Cs1—O5—Cs2xi | 83.55 (11) |
O3—Cu1—S1 | 22.47 (12) | Cs2iv—O5—Cs2xi | 108.25 (11) |
O1i—Cu1—S1 | 104.25 (12) | Cu1i—O5—Cs2xi | 73.11 (9) |
O6—Cu1—S1 | 79.49 (13) | Cs1iii—O5—Cs2xi | 139.96 (12) |
O2—Cu1—S1 | 149.18 (12) | S1—O5—Cu1 | 30.47 (14) |
O8x—Cu1—S1 | 105.47 (16) | Cs1—O5—Cu1 | 141.27 (14) |
S2—Cu1—S1 | 114.28 (5) | Cs2iv—O5—Cu1 | 110.31 (10) |
S1i—Cu1—S1 | 101.14 (4) | Cu1i—O5—Cu1 | 59.67 (7) |
O3—Cu1—O3i | 84.64 (16) | Cs1iii—O5—Cu1 | 114.12 (10) |
O1i—Cu1—O3i | 49.42 (13) | Cs2xi—O5—Cu1 | 58.32 (6) |
O6—Cu1—O3i | 105.30 (15) | S1—O5—Cs1vii | 48.19 (13) |
O2—Cu1—O3i | 104.32 (15) | Cs1—O5—Cs1vii | 138.42 (11) |
O8x—Cu1—O3i | 136.68 (18) | Cs2iv—O5—Cs1vii | 62.00 (6) |
S2—Cu1—O3i | 106.98 (8) | Cu1i—O5—Cs1vii | 106.93 (10) |
S1i—Cu1—O3i | 28.02 (8) | Cs1iii—O5—Cs1vii | 124.94 (11) |
S1—Cu1—O3i | 76.69 (8) | Cs2xi—O5—Cs1vii | 81.89 (7) |
O3—Cu1—O5i | 126.11 (15) | Cu1—O5—Cs1vii | 48.90 (4) |
O1i—Cu1—O5i | 46.34 (13) | S2—O6—Cu1 | 94.1 (2) |
O6—Cu1—O5i | 105.86 (15) | S2—O6—Cs1vii | 111.0 (2) |
O2—Cu1—O5i | 65.12 (14) | Cu1—O6—Cs1vii | 94.44 (16) |
O8x—Cu1—O5i | 122.00 (19) | S2—O6—Cs2 | 121.9 (2) |
S2—Cu1—O5i | 83.83 (8) | Cu1—O6—Cs2 | 143.17 (19) |
S1i—Cu1—O5i | 25.87 (7) | Cs1vii—O6—Cs2 | 80.61 (10) |
S1—Cu1—O5i | 119.03 (8) | S2—O6—Cs2ix | 92.3 (2) |
O3i—Cu1—O5i | 42.77 (10) | Cu1—O6—Cs2ix | 91.53 (15) |
O3—Cu1—O1 | 44.59 (13) | Cs1vii—O6—Cs2ix | 155.46 (14) |
O1i—Cu1—O1 | 91.71 (14) | Cs2—O6—Cs2ix | 80.38 (10) |
O6—Cu1—O1 | 78.81 (14) | S2—O6—Cu1viii | 56.58 (16) |
O2—Cu1—O1 | 134.44 (14) | Cu1—O6—Cu1viii | 124.71 (17) |
O8x—Cu1—O1 | 129.75 (17) | Cs1vii—O6—Cu1viii | 62.93 (8) |
S2—Cu1—O1 | 107.31 (8) | Cs2—O6—Cu1viii | 85.55 (10) |
S1i—Cu1—O1 | 79.53 (7) | Cs2ix—O6—Cu1viii | 130.46 (11) |
S1—Cu1—O1 | 26.68 (7) | S2—O6—Cu1i | 121.8 (2) |
O3i—Cu1—O1 | 52.49 (10) | Cu1—O6—Cu1i | 50.06 (10) |
O5i—Cu1—O1 | 93.27 (10) | Cs1vii—O6—Cu1i | 115.30 (11) |
O3—Cu1—O4 | 39.35 (15) | Cs2—O6—Cu1i | 99.12 (10) |
O1i—Cu1—O4 | 127.73 (14) | Cs2ix—O6—Cu1i | 53.25 (6) |
O6—Cu1—O4 | 58.20 (15) | Cu1viii—O6—Cu1i | 174.76 (11) |
O2—Cu1—O4 | 128.52 (14) | S2—O6—Cs1xii | 42.61 (14) |
O8x—Cu1—O4 | 104.97 (18) | Cu1—O6—Cs1xii | 134.82 (17) |
S2—Cu1—O4 | 93.43 (8) | Cs1vii—O6—Cs1xii | 111.01 (11) |
S1i—Cu1—O4 | 120.32 (8) | Cs2—O6—Cs1xii | 79.51 (9) |
S1—Cu1—O4 | 23.62 (7) | Cs2ix—O6—Cs1xii | 80.48 (8) |
O3i—Cu1—O4 | 93.06 (11) | Cu1viii—O6—Cs1xii | 50.21 (5) |
O5i—Cu1—O4 | 130.75 (11) | Cu1i—O6—Cs1xii | 132.79 (10) |
O1—Cu1—O4 | 40.79 (10) | S2—O6—Cs1i | 35.43 (15) |
O3—Cu1—O7 | 131.93 (15) | Cu1—O6—Cs1i | 78.95 (13) |
O1i—Cu1—O7 | 114.41 (14) | Cs1vii—O6—Cs1i | 143.37 (12) |
O6—Cu1—O7 | 40.40 (16) | Cs2—O6—Cs1i | 125.29 (12) |
O2—Cu1—O7 | 40.57 (15) | Cs2ix—O6—Cs1i | 61.17 (7) |
O8x—Cu1—O7 | 129.34 (17) | Cu1viii—O6—Cs1i | 91.19 (8) |
S2—Cu1—O7 | 20.12 (9) | Cu1i—O6—Cs1i | 88.04 (8) |
S1i—Cu1—O7 | 91.24 (9) | Cs1xii—O6—Cs1i | 58.17 (5) |
S1—Cu1—O7 | 109.91 (10) | S2—O6—Cs2x | 38.37 (15) |
O3i—Cu1—O7 | 86.86 (11) | Cu1—O6—Cs2x | 78.36 (13) |
O5i—Cu1—O7 | 68.14 (11) | Cs1vii—O6—Cs2x | 77.51 (9) |
O1—Cu1—O7 | 94.96 (11) | Cs2—O6—Cs2x | 134.43 (12) |
O4—Cu1—O7 | 94.30 (12) | Cs2ix—O6—Cs2x | 127.03 (11) |
O3—Cu1—S2x | 91.71 (12) | Cu1viii—O6—Cs2x | 48.89 (5) |
O1i—Cu1—S2x | 93.98 (11) | Cu1i—O6—Cs2x | 126.35 (9) |
O6—Cu1—S2x | 112.21 (14) | Cs1xii—O6—Cs2x | 72.00 (6) |
O2—Cu1—S2x | 87.29 (13) | Cs1i—O6—Cs2x | 65.86 (6) |
O8x—Cu1—S2x | 8.02 (15) | S2—O7—Cs1i | 112.6 (3) |
S2—Cu1—S2x | 102.84 (3) | S2—O7—Cs1xii | 115.0 (3) |
S1i—Cu1—S2x | 119.38 (4) | Cs1i—O7—Cs1xii | 101.49 (15) |
S1—Cu1—S2x | 110.94 (4) | S2—O7—Cs2ix | 110.6 (3) |
O3i—Cu1—S2x | 142.46 (8) | Cs1i—O7—Cs2ix | 90.93 (13) |
O5i—Cu1—S2x | 121.11 (8) | Cs1xii—O7—Cs2ix | 122.62 (15) |
O1—Cu1—S2x | 136.28 (7) | S2—O7—Cu1 | 37.94 (15) |
O4—Cu1—S2x | 107.49 (8) | Cs1i—O7—Cu1 | 97.68 (13) |
O7—Cu1—S2x | 121.32 (9) | Cs1xii—O7—Cu1 | 152.25 (17) |
O3—Cu1—O8 | 127.75 (17) | Cs2ix—O7—Cu1 | 76.56 (10) |
O1i—Cu1—O8 | 137.40 (16) | S2—O7—Cu1viii | 52.91 (18) |
O6—Cu1—O8 | 39.01 (16) | Cs1i—O7—Cu1viii | 126.54 (16) |
O2—Cu1—O8 | 38.63 (15) | Cs1xii—O7—Cu1viii | 62.22 (9) |
O8x—Cu1—O8 | 93.09 (9) | Cs2ix—O7—Cu1viii | 141.91 (16) |
S2—Cu1—O8 | 18.72 (10) | Cu1—O7—Cu1viii | 90.22 (10) |
S1i—Cu1—O8 | 124.43 (10) | S2—O7—Cs2 | 74.8 (2) |
S1—Cu1—O8 | 115.73 (10) | Cs1i—O7—Cs2 | 161.03 (16) |
O3i—Cu1—O8 | 125.70 (12) | Cs1xii—O7—Cs2 | 90.09 (12) |
O5i—Cu1—O8 | 98.63 (12) | Cs2ix—O7—Cs2 | 70.13 (10) |
O1—Cu1—O8 | 117.62 (11) | Cu1—O7—Cs2 | 77.43 (10) |
O4—Cu1—O8 | 92.37 (12) | Cu1viii—O7—Cs2 | 72.17 (9) |
O7—Cu1—O8 | 38.84 (13) | S2—O7—Cs2x | 44.59 (19) |
S2x—Cu1—O8 | 85.38 (10) | Cs1i—O7—Cs2x | 82.85 (12) |
O3—Cu1—Cu1i | 54.78 (13) | Cs1xii—O7—Cs2x | 91.08 (12) |
O1i—Cu1—Cu1i | 60.56 (12) | Cs2ix—O7—Cs2x | 146.27 (13) |
O6—Cu1—Cu1i | 106.36 (13) | Cu1—O7—Cs2x | 71.53 (8) |
O2—Cu1—Cu1i | 133.55 (13) | Cu1viii—O7—Cs2x | 49.95 (6) |
O8x—Cu1—Cu1i | 123.73 (15) | Cs2—O7—Cs2x | 112.19 (10) |
S2—Cu1—Cu1i | 125.32 (4) | S2—O8—Cu1viii | 159.6 (4) |
S1i—Cu1—Cu1i | 51.76 (3) | S2—O8—Cs2x | 111.2 (3) |
S1—Cu1—Cu1i | 49.38 (3) | Cu1viii—O8—Cs2x | 89.04 (15) |
O3i—Cu1—Cu1i | 29.86 (8) | S2—O8—Cu1 | 35.33 (19) |
O5i—Cu1—Cu1i | 72.08 (7) | Cu1viii—O8—Cu1 | 145.2 (3) |
O1—Cu1—Cu1i | 31.15 (6) | Cs2x—O8—Cu1 | 94.91 (14) |
O4—Cu1—Cu1i | 69.95 (7) | S2—O8—Cs1xii | 92.3 (3) |
O7—Cu1—Cu1i | 106.81 (9) | Cu1viii—O8—Cs1xii | 80.11 (17) |
S2x—Cu1—Cu1i | 131.73 (4) | Cs2x—O8—Cs1xii | 116.09 (17) |
O8—Cu1—Cu1i | 141.72 (10) | Cu1—O8—Cs1xii | 127.39 (14) |
O4—S1—O5 | 112.8 (3) | S2—O8—Cs1vii | 93.2 (3) |
O4—S1—O3 | 110.5 (3) | Cu1viii—O8—Cs1vii | 80.00 (17) |
O5—S1—O3 | 107.0 (3) | Cs2x—O8—Cs1vii | 101.79 (16) |
O4—S1—O1 | 110.2 (2) | Cu1—O8—Cs1vii | 65.37 (10) |
O5—S1—O1 | 110.1 (2) | Cs1xii—O8—Cs1vii | 136.52 (16) |
O3—S1—O1 | 106.0 (2) | S2—O8—Cs2 | 69.0 (2) |
O4—S1—Cu1i | 146.8 (2) | Cu1viii—O8—Cs2 | 91.13 (16) |
O5—S1—Cu1i | 90.63 (17) | Cs2x—O8—Cs2 | 161.89 (19) |
O3—S1—Cu1i | 82.71 (18) | Cu1—O8—Cs2 | 74.91 (9) |
O1—S1—Cu1i | 37.01 (15) | Cs1xii—O8—Cs2 | 81.74 (11) |
O4—S1—Cu1 | 97.7 (2) | Cs1vii—O8—Cs2 | 60.48 (9) |
O5—S1—Cu1 | 135.7 (2) | S2—O8—Cs1i | 47.2 (2) |
O3—S1—Cu1 | 29.46 (16) | Cu1viii—O8—Cs1i | 141.9 (2) |
O1—S1—Cu1 | 86.77 (17) | Cs2x—O8—Cs1i | 84.71 (11) |
Cu1i—S1—Cu1 | 78.86 (4) | Cu1—O8—Cs1i | 72.82 (8) |
O4—S1—Cs1iii | 96.4 (2) | Cs1xii—O8—Cs1i | 69.34 (10) |
O5—S1—Cs1iii | 67.29 (17) | Cs1vii—O8—Cs1i | 138.04 (12) |
O3—S1—Cs1iii | 152.01 (19) | Cs2—O8—Cs1i | 105.87 (10) |
O1—S1—Cs1iii | 55.40 (16) | | |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x−1, y+1, z; (iii) −x, −y+1, −z+1; (iv) −x+1/2, y+1/2, −z+3/2; (v) x−1, y, z; (vi) x, y−1, z; (vii) −x+1/2, y−1/2, −z+3/2; (viii) −x+3/2, y−1/2, −z+3/2; (ix) −x+1, −y, −z+1; (x) −x+3/2, y+1/2, −z+3/2; (xi) x, y+1, z; (xii) x+1, y−1, z; (xiii) x+1, y, z. |
Crystal data top
Co0.67Cs0.67O4S | F(000) = 1232 |
Mr = 223.95 | Dx = 3.570 Mg m−3 |
Orthorhombic, P212121 | Ag Kα radiation, λ = 0.56086 Å |
a = 4.8810 (7) Å | Cell parameters from 2141 reflections |
b = 14.920 (2) Å | θ = 1.4–25.2° |
c = 17.164 (3) Å | µ = 4.69 mm−1 |
V = 1249.9 (3) Å3 | T = 296 K |
Z = 12 | Prism |
Data collection top
Bruker Apex 2 Duo diffractometer | θmax = 25.2°, θmin = 1.4° |
13460 measured reflections | h = −7→7 |
4542 independent reflections | k = −14→22 |
2909 reflections with I > 2σ(I) | l = −25→25 |
Rint = 0.082 | |
Refinement top
Refinement on F2 | w = 1/[σ2(Fo2) + (0.0096P)2] where P = (Fo2 + 2Fc2)/3 |
Least-squares matrix: full | (Δ/σ)max = 0.001 |
R[F2 > 2σ(F2)] = 0.049 | Δρmax = 1.50 e Å−3 |
wR(F2) = 0.074 | Δρmin = −1.32 e Å−3 |
S = 0.99 | Extinction correction: SHELXL-2018/3 (Sheldrick 2018), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
4542 reflections | Extinction coefficient: 0.00050 (14) |
174 parameters | Absolute structure: Refined as an inversion twin. |
0 restraints | Absolute structure parameter: 0.48 (6) |
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. |
Refinement. Refined as a 2-component inversion twin. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Cs1 | 0.49961 (15) | 0.68795 (4) | 0.39255 (4) | 0.02140 (15) | |
Cs2 | 0.03805 (13) | 0.58046 (5) | 0.99713 (4) | 0.02584 (17) | |
Co1 | 1.0232 (3) | 0.50784 (8) | 0.70854 (7) | 0.0150 (3) | |
Co2 | 0.5763 (2) | 0.70941 (9) | 0.80355 (9) | 0.0171 (3) | |
S1 | 0.5209 (5) | 0.50062 (15) | 0.83588 (13) | 0.0140 (5) | |
S2 | 0.5226 (5) | 0.62783 (15) | 0.64153 (14) | 0.0144 (5) | |
S3 | 0.0328 (5) | 0.80987 (16) | 0.85985 (14) | 0.0147 (5) | |
O1 | 0.5261 (14) | 0.4504 (4) | 0.9081 (4) | 0.0211 (15) | |
O2 | 0.2338 (12) | 0.5063 (6) | 0.8086 (4) | 0.0253 (19) | |
O3 | −0.0900 (13) | 0.7830 (5) | 0.7841 (5) | 0.0245 (18) | |
O4 | 0.0063 (16) | 0.9076 (4) | 0.8698 (4) | 0.0219 (15) | |
O5 | 0.4063 (12) | 0.6906 (5) | 0.7006 (4) | 0.0242 (18) | |
O6 | 0.5173 (17) | 0.6706 (5) | 0.5661 (4) | 0.0310 (18) | |
O7 | −0.1099 (15) | 0.7650 (5) | 0.9226 (5) | 0.032 (2) | |
O8 | 0.8116 (12) | 0.6104 (5) | 0.6647 (5) | 0.026 (2) | |
O9 | 0.6910 (12) | 0.4589 (5) | 0.7758 (5) | 0.0208 (18) | |
O10 | 0.3252 (12) | 0.7879 (6) | 0.8595 (5) | 0.031 (2) | |
O11 | 0.3651 (12) | 0.5443 (5) | 0.6419 (5) | 0.0223 (18) | |
O12 | 0.6227 (14) | 0.5923 (5) | 0.8530 (5) | 0.028 (2) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Cs1 | 0.0235 (3) | 0.0192 (3) | 0.0215 (3) | 0.0014 (4) | 0.0006 (3) | 0.0019 (3) |
Cs2 | 0.0296 (3) | 0.0259 (3) | 0.0220 (3) | 0.0025 (3) | −0.0048 (4) | −0.0011 (3) |
Co1 | 0.0142 (6) | 0.0141 (6) | 0.0167 (6) | 0.0017 (6) | −0.0004 (7) | −0.0016 (5) |
Co2 | 0.0147 (6) | 0.0150 (7) | 0.0215 (8) | 0.0006 (5) | −0.0005 (6) | −0.0014 (6) |
S1 | 0.0111 (10) | 0.0143 (11) | 0.0166 (11) | 0.0018 (12) | −0.0012 (11) | 0.0002 (9) |
S2 | 0.0127 (10) | 0.0136 (11) | 0.0167 (11) | 0.0006 (11) | −0.0011 (12) | −0.0007 (9) |
S3 | 0.0136 (10) | 0.0127 (10) | 0.0177 (11) | 0.0028 (12) | 0.0005 (11) | −0.0012 (10) |
O1 | 0.024 (3) | 0.023 (4) | 0.017 (4) | 0.003 (4) | 0.005 (4) | 0.013 (3) |
O2 | 0.013 (3) | 0.042 (5) | 0.020 (4) | 0.000 (4) | 0.000 (3) | 0.001 (4) |
O3 | 0.021 (4) | 0.030 (4) | 0.023 (4) | −0.009 (3) | −0.006 (3) | −0.007 (4) |
O4 | 0.032 (3) | 0.010 (3) | 0.023 (4) | 0.001 (4) | −0.003 (4) | 0.005 (3) |
O5 | 0.022 (3) | 0.022 (4) | 0.028 (4) | 0.010 (3) | −0.005 (3) | −0.015 (4) |
O6 | 0.036 (4) | 0.043 (5) | 0.014 (3) | −0.006 (5) | 0.002 (4) | 0.012 (3) |
O7 | 0.046 (5) | 0.021 (4) | 0.028 (5) | −0.001 (4) | 0.010 (4) | 0.011 (4) |
O8 | 0.009 (3) | 0.021 (4) | 0.049 (6) | 0.000 (3) | −0.005 (3) | 0.001 (4) |
O9 | 0.015 (3) | 0.021 (4) | 0.027 (5) | −0.001 (3) | 0.007 (3) | −0.006 (4) |
O10 | 0.014 (3) | 0.043 (6) | 0.035 (5) | 0.010 (4) | −0.007 (3) | −0.015 (5) |
O11 | 0.015 (3) | 0.020 (4) | 0.032 (5) | −0.004 (3) | 0.001 (3) | −0.008 (4) |
O12 | 0.041 (4) | 0.011 (4) | 0.033 (5) | −0.004 (3) | −0.014 (4) | −0.003 (4) |
Geometric parameters (Å, º) top
Cs1—O6 | 2.991 (7) | Cs2—S3vi | 3.812 (3) |
Cs1—O3i | 3.095 (8) | Co1—O8 | 1.994 (7) |
Cs1—O1ii | 3.114 (7) | Co1—O2ix | 2.002 (7) |
Cs1—O5i | 3.127 (7) | Co1—O4x | 2.017 (6) |
Cs1—O6iii | 3.241 (8) | Co1—O11ix | 2.095 (7) |
Cs1—O8iii | 3.295 (8) | Co1—O9 | 2.120 (7) |
Cs1—O1iv | 3.304 (7) | Co2—O10 | 1.948 (7) |
Cs1—O9ii | 3.331 (8) | Co2—O12 | 1.956 (7) |
Cs1—O6i | 3.368 (8) | Co2—O5 | 1.973 (7) |
Cs1—O2iv | 3.431 (8) | Co2—O3ix | 1.992 (7) |
Cs1—S2iii | 3.649 (3) | S1—O1 | 1.448 (6) |
Cs1—O5iii | 3.772 (7) | S1—O9 | 1.463 (7) |
Cs2—O7 | 3.121 (8) | S1—O2 | 1.480 (7) |
Cs2—O11v | 3.141 (8) | S1—O12 | 1.484 (7) |
Cs2—O7vi | 3.188 (8) | S2—O6 | 1.444 (7) |
Cs2—O12vii | 3.203 (7) | S2—O11 | 1.464 (7) |
Cs2—O4vi | 3.236 (7) | S2—O8 | 1.488 (6) |
Cs2—O10viii | 3.316 (8) | S2—O5 | 1.493 (7) |
Cs2—O1 | 3.431 (7) | S3—O7 | 1.447 (8) |
Cs2—O4viii | 3.462 (7) | S3—O10 | 1.464 (6) |
Cs2—O1vii | 3.514 (7) | S3—O4 | 1.474 (6) |
Cs2—O2 | 3.550 (8) | S3—O3 | 1.486 (8) |
Cs2—O12 | 3.781 (8) | | |
| | | |
O6—Cs1—O3i | 172.8 (2) | O2ix—Co1—Cs1xi | 51.4 (2) |
O6—Cs1—O1ii | 80.6 (2) | O4x—Co1—Cs1xi | 89.09 (18) |
O3i—Cs1—O1ii | 106.37 (17) | O11ix—Co1—Cs1xi | 126.7 (2) |
O6—Cs1—O5i | 122.7 (2) | O9—Co1—Cs1xi | 49.2 (2) |
O3i—Cs1—O5i | 60.51 (18) | O10—Co2—O12 | 113.3 (4) |
O1ii—Cs1—O5i | 87.48 (19) | O10—Co2—O5 | 105.2 (3) |
O6—Cs1—O6iii | 81.90 (19) | O12—Co2—O5 | 108.1 (3) |
O3i—Cs1—O6iii | 91.21 (17) | O10—Co2—O3ix | 105.4 (3) |
O1ii—Cs1—O6iii | 162.42 (16) | O12—Co2—O3ix | 118.1 (3) |
O5i—Cs1—O6iii | 101.29 (19) | O5—Co2—O3ix | 105.8 (3) |
O6—Cs1—O8iii | 112.6 (2) | O10—Co2—Cs1i | 118.8 (3) |
O3i—Cs1—O8iii | 62.7 (2) | O12—Co2—Cs1i | 127.7 (2) |
O1ii—Cs1—O8iii | 146.93 (17) | O5—Co2—Cs1i | 62.9 (2) |
O5i—Cs1—O8iii | 59.69 (17) | O3ix—Co2—Cs1i | 43.0 (2) |
O6iii—Cs1—O8iii | 42.98 (17) | O1—S1—O9 | 111.9 (4) |
O6—Cs1—O1iv | 83.57 (19) | O1—S1—O2 | 108.5 (4) |
O3i—Cs1—O1iv | 93.25 (17) | O9—S1—O2 | 109.8 (5) |
O1ii—Cs1—O1iv | 98.98 (18) | O1—S1—O12 | 107.5 (4) |
O5i—Cs1—O1iv | 153.67 (17) | O9—S1—O12 | 110.0 (4) |
O6iii—Cs1—O1iv | 79.93 (18) | O2—S1—O12 | 109.1 (5) |
O8iii—Cs1—O1iv | 112.23 (15) | O1—S1—Cs1xi | 52.1 (3) |
O6—Cs1—O9ii | 121.9 (2) | O9—S1—Cs1xi | 60.9 (3) |
O3i—Cs1—O9ii | 64.31 (18) | O2—S1—Cs1xi | 135.2 (4) |
O1ii—Cs1—O9ii | 43.80 (16) | O12—S1—Cs1xi | 115.2 (3) |
O5i—Cs1—O9ii | 77.63 (17) | O1—S1—Cs2 | 63.4 (3) |
O6iii—Cs1—O9ii | 152.83 (17) | O9—S1—Cs2 | 172.8 (3) |
O8iii—Cs1—O9ii | 123.19 (19) | O2—S1—Cs2 | 68.1 (3) |
O1iv—Cs1—O9ii | 89.41 (15) | O12—S1—Cs2 | 77.1 (3) |
O6—Cs1—O6i | 79.78 (18) | Cs1xi—S1—Cs2 | 115.23 (6) |
O3i—Cs1—O6i | 103.01 (18) | O1—S1—Cs1v | 55.0 (3) |
O1ii—Cs1—O6i | 80.77 (18) | O9—S1—Cs1v | 103.7 (3) |
O5i—Cs1—O6i | 42.99 (17) | O2—S1—Cs1v | 60.3 (3) |
O6iii—Cs1—O6i | 95.20 (19) | O12—S1—Cs1v | 146.1 (3) |
O8iii—Cs1—O6i | 72.52 (17) | Cs1xi—S1—Cs1v | 78.65 (5) |
O1iv—Cs1—O6i | 163.16 (15) | Cs2—S1—Cs1v | 69.15 (4) |
O9ii—Cs1—O6i | 101.47 (17) | O1—S1—Cs2ix | 62.8 (3) |
O6—Cs1—O2iv | 110.76 (19) | O9—S1—Cs2ix | 105.1 (3) |
O3i—Cs1—O2iv | 70.11 (19) | O2—S1—Cs2ix | 144.4 (3) |
O1ii—Cs1—O2iv | 73.90 (16) | O12—S1—Cs2ix | 50.7 (3) |
O5i—Cs1—O2iv | 119.05 (18) | Cs1xi—S1—Cs2ix | 69.35 (4) |
O6iii—Cs1—O2iv | 113.64 (18) | Cs2—S1—Cs2ix | 77.98 (5) |
O8iii—Cs1—O2iv | 123.62 (18) | Cs1v—S1—Cs2ix | 117.37 (6) |
O1iv—Cs1—O2iv | 41.25 (15) | O6—S2—O11 | 111.8 (5) |
O9ii—Cs1—O2iv | 48.89 (15) | O6—S2—O8 | 109.5 (5) |
O6i—Cs1—O2iv | 150.11 (17) | O11—S2—O8 | 110.3 (4) |
O6—Cs1—S2iii | 104.08 (16) | O6—S2—O5 | 109.0 (5) |
O3i—Cs1—S2iii | 69.35 (13) | O11—S2—O5 | 109.3 (4) |
O1ii—Cs1—S2iii | 170.96 (14) | O8—S2—O5 | 106.8 (4) |
O5i—Cs1—S2iii | 83.49 (14) | O6—S2—Cs1i | 62.3 (3) |
O6iii—Cs1—S2iii | 23.24 (12) | O11—S2—Cs1i | 167.6 (3) |
O8iii—Cs1—S2iii | 24.06 (11) | O8—S2—Cs1i | 64.5 (3) |
O1iv—Cs1—S2iii | 89.32 (12) | O5—S2—Cs1i | 83.0 (3) |
O9ii—Cs1—S2iii | 133.49 (13) | O6—S2—Cs1iii | 62.0 (3) |
O6i—Cs1—S2iii | 92.32 (14) | O11—S2—Cs1iii | 105.3 (3) |
O2iv—Cs1—S2iii | 110.92 (12) | O8—S2—Cs1iii | 143.6 (3) |
O6—Cs1—O5iii | 119.1 (2) | O5—S2—Cs1iii | 52.7 (3) |
O3i—Cs1—O5iii | 53.77 (16) | Cs1i—S2—Cs1iii | 81.90 (5) |
O1ii—Cs1—O5iii | 157.79 (15) | O6—S2—Cs2iv | 77.6 (3) |
O5i—Cs1—O5iii | 89.57 (19) | O11—S2—Cs2iv | 45.6 (3) |
O6iii—Cs1—O5iii | 38.94 (16) | O8—S2—Cs2iv | 95.7 (3) |
O8iii—Cs1—O5iii | 38.85 (15) | O5—S2—Cs2iv | 152.0 (3) |
O1iv—Cs1—O5iii | 74.81 (15) | Cs1i—S2—Cs2iv | 122.35 (7) |
O9ii—Cs1—O5iii | 114.15 (16) | Cs1iii—S2—Cs2iv | 114.75 (6) |
O6i—Cs1—O5iii | 111.37 (16) | O7—S3—O10 | 111.7 (5) |
O2iv—Cs1—O5iii | 88.45 (16) | O7—S3—O4 | 109.2 (4) |
S2iii—Cs1—O5iii | 23.13 (11) | O10—S3—O4 | 107.9 (5) |
O7—Cs2—O11v | 151.9 (2) | O7—S3—O3 | 109.4 (5) |
O7—Cs2—O7vi | 70.34 (19) | O10—S3—O3 | 109.2 (4) |
O11v—Cs2—O7vi | 90.3 (2) | O4—S3—O3 | 109.4 (4) |
O7—Cs2—O12vii | 59.2 (2) | O7—S3—Cs2viii | 54.1 (3) |
O11v—Cs2—O12vii | 137.64 (18) | O10—S3—Cs2viii | 135.7 (3) |
O7vi—Cs2—O12vii | 129.42 (18) | O4—S3—Cs2viii | 56.3 (3) |
O7—Cs2—O4vi | 113.82 (18) | O3—S3—Cs2viii | 115.0 (3) |
O11v—Cs2—O4vi | 50.80 (16) | O7—S3—Cs2vi | 91.7 (4) |
O7vi—Cs2—O4vi | 43.50 (16) | O10—S3—Cs2vi | 58.2 (3) |
O12vii—Cs2—O4vi | 171.50 (18) | O4—S3—Cs2vi | 64.0 (3) |
O7—Cs2—O10viii | 73.1 (2) | O3—S3—Cs2vi | 158.7 (3) |
O11v—Cs2—O10viii | 79.1 (2) | Cs2viii—S3—Cs2vi | 79.20 (5) |
O7vi—Cs2—O10viii | 54.55 (18) | O7—S3—Cs2 | 36.9 (3) |
O12vii—Cs2—O10viii | 110.02 (19) | O10—S3—Cs2 | 79.2 (4) |
O4vi—Cs2—O10viii | 70.42 (17) | O4—S3—Cs2 | 138.6 (3) |
O7—Cs2—O1 | 118.49 (18) | O3—S3—Cs2 | 106.1 (3) |
O11v—Cs2—O1 | 85.01 (16) | Cs2viii—S3—Cs2 | 89.56 (5) |
O7vi—Cs2—O1 | 103.12 (19) | Cs2vi—S3—Cs2 | 89.12 (5) |
O12vii—Cs2—O1 | 97.26 (18) | S1—O1—Cs1xi | 106.4 (3) |
O4vi—Cs2—O1 | 81.67 (17) | S1—O1—Cs1v | 103.9 (3) |
O10viii—Cs2—O1 | 152.02 (17) | Cs1xi—O1—Cs1v | 98.98 (17) |
O7—Cs2—O4viii | 92.94 (17) | S1—O1—Cs2 | 94.4 (3) |
O11v—Cs2—O4viii | 67.75 (16) | Cs1xi—O1—Cs2 | 158.3 (2) |
O7vi—Cs2—O4viii | 94.70 (19) | Cs1v—O1—Cs2 | 81.38 (15) |
O12vii—Cs2—O4viii | 91.84 (19) | S1—O1—Cs2ix | 95.7 (3) |
O4vi—Cs2—O4viii | 93.51 (16) | Cs1xi—O1—Cs2ix | 82.79 (16) |
O10viii—Cs2—O4viii | 40.97 (16) | Cs1v—O1—Cs2ix | 158.8 (2) |
O1—Cs2—O4viii | 147.51 (14) | Cs2—O1—Cs2ix | 89.30 (15) |
O7—Cs2—O1vii | 98.31 (18) | S1—O2—Co1vii | 139.3 (5) |
O11v—Cs2—O1vii | 97.12 (16) | S1—O2—Cs1v | 97.7 (4) |
O7vi—Cs2—O1vii | 166.06 (17) | Co1vii—O2—Cs1v | 101.5 (3) |
O12vii—Cs2—O1vii | 40.91 (16) | S1—O2—Cs2 | 89.1 (3) |
O4vi—Cs2—O1vii | 147.12 (14) | Co1vii—O2—Cs2 | 129.8 (3) |
O10viii—Cs2—O1vii | 115.28 (15) | Cs1v—O2—Cs2 | 77.95 (15) |
O1—Cs2—O1vii | 89.30 (15) | S3—O3—Co2vii | 109.4 (4) |
O4viii—Cs2—O1vii | 77.42 (16) | S3—O3—Cs1iii | 139.7 (4) |
O7—Cs2—O2 | 87.9 (2) | Co2vii—O3—Cs1iii | 110.9 (3) |
O11v—Cs2—O2 | 119.73 (19) | S3—O4—Co1xii | 131.5 (4) |
O7vi—Cs2—O2 | 118.29 (19) | S3—O4—Cs2viii | 101.4 (3) |
O12vii—Cs2—O2 | 58.91 (17) | Co1xii—O4—Cs2viii | 112.3 (3) |
O4vi—Cs2—O2 | 118.04 (16) | S3—O4—Cs2vi | 93.5 (3) |
O10viii—Cs2—O2 | 161.0 (2) | Co1xii—O4—Cs2vi | 117.1 (3) |
O1—Cs2—O2 | 39.74 (15) | Cs2viii—O4—Cs2vi | 93.51 (16) |
O4viii—Cs2—O2 | 144.99 (16) | S2—O5—Co2 | 122.5 (4) |
O1vii—Cs2—O2 | 67.85 (15) | S2—O5—Cs1iii | 105.0 (4) |
O7—Cs2—O12 | 82.27 (18) | Co2—O5—Cs1iii | 130.0 (3) |
O11v—Cs2—O12 | 115.58 (16) | S2—O5—Cs1i | 73.8 (3) |
O7vi—Cs2—O12 | 80.91 (19) | Co2—O5—Cs1i | 89.3 (2) |
O12vii—Cs2—O12 | 88.3 (2) | Cs1iii—O5—Cs1i | 89.57 (19) |
O4vi—Cs2—O12 | 85.76 (17) | S2—O6—Cs1 | 158.8 (4) |
O10viii—Cs2—O12 | 133.99 (16) | S2—O6—Cs1i | 94.5 (4) |
O1—Cs2—O12 | 37.90 (15) | Cs1—O6—Cs1i | 100.5 (2) |
O4viii—Cs2—O12 | 174.36 (15) | S2—O6—Cs1iii | 95.8 (4) |
O1vii—Cs2—O12 | 106.14 (15) | Cs1—O6—Cs1iii | 97.7 (2) |
O2—Cs2—O12 | 38.29 (15) | Cs1i—O6—Cs1iii | 95.20 (19) |
O7—Cs2—S3vi | 91.81 (16) | S3—O7—Cs2 | 127.0 (4) |
O11v—Cs2—S3vi | 69.49 (14) | S3—O7—Cs2viii | 104.3 (4) |
O7vi—Cs2—S3vi | 21.58 (14) | Cs2—O7—Cs2viii | 125.9 (3) |
O12vii—Cs2—S3vi | 150.99 (13) | S2—O8—Co1 | 136.6 (5) |
O4vi—Cs2—S3vi | 22.26 (11) | S2—O8—Cs1i | 91.4 (3) |
O10viii—Cs2—S3vi | 57.75 (11) | Co1—O8—Cs1i | 132.0 (3) |
O1—Cs2—S3vi | 95.15 (13) | S1—O9—Co1 | 132.1 (5) |
O4viii—Cs2—S3vi | 91.61 (12) | S1—O9—Cs1xi | 96.5 (4) |
O1vii—Cs2—S3vi | 165.38 (11) | Co1—O9—Cs1xi | 102.0 (2) |
O2—Cs2—S3vi | 123.37 (11) | S3—O10—Co2 | 138.6 (5) |
O12—Cs2—S3vi | 85.59 (12) | S3—O10—Cs2vi | 99.8 (4) |
O8—Co1—O2ix | 126.8 (4) | Co2—O10—Cs2vi | 121.6 (3) |
O8—Co1—O4x | 106.3 (3) | S2—O11—Co1vii | 129.9 (5) |
O2ix—Co1—O4x | 126.9 (3) | S2—O11—Cs2iv | 114.9 (4) |
O8—Co1—O11ix | 90.4 (3) | Co1vii—O11—Cs2iv | 113.4 (3) |
O2ix—Co1—O11ix | 93.6 (3) | S1—O12—Co2 | 134.3 (5) |
O4x—Co1—O11ix | 83.4 (3) | S1—O12—Cs2ix | 108.3 (4) |
O8—Co1—O9 | 94.2 (3) | Co2—O12—Cs2ix | 117.2 (3) |
O2ix—Co1—O9 | 85.5 (3) | S1—O12—Cs2 | 80.4 (3) |
O4x—Co1—O9 | 93.0 (3) | Co2—O12—Cs2 | 103.8 (3) |
O11ix—Co1—O9 | 174.8 (3) | Cs2ix—O12—Cs2 | 88.3 (2) |
O8—Co1—Cs1xi | 141.7 (2) | | |
Symmetry codes: (i) x+1/2, −y+3/2, −z+1; (ii) −x+3/2, −y+1, z−1/2; (iii) x−1/2, −y+3/2, −z+1; (iv) −x+1/2, −y+1, z−1/2; (v) −x+1/2, −y+1, z+1/2; (vi) x+1/2, −y+3/2, −z+2; (vii) x−1, y, z; (viii) x−1/2, −y+3/2, −z+2; (ix) x+1, y, z; (x) −x+1, y−1/2, −z+3/2; (xi) −x+3/2, −y+1, z+1/2; (xii) −x+1, y+1/2, −z+3/2. |