Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S010827010700875X/fa3068sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S010827010700875X/fa3068Isup2.hkl |
Data collection: SMART (Siemens, 1995); cell refinement: SAINT (Siemens, 1995); data reduction: SAINT and SADABS (Sheldrick, 2002); program(s) used to solve structure: SHELXTL (Bruker, 2003); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXTL.
K6[Ce(HSO4)2(SO4)4]·H2O | F(000) = 1880 |
Mr = 969.10 | Dx = 2.564 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 8192 reflections |
a = 11.2377 (2) Å | θ = 1.0–32.8° |
b = 19.8722 (4) Å | µ = 3.41 mm−1 |
c = 11.2430 (2) Å | T = 295 K |
β = 90.142 (1)° | Plate, light yellow |
V = 2510.75 (8) Å3 | 0.36 × 0.36 × 0.07 mm |
Z = 4 |
Bruker SMART CCD area-detector diffractometer | 8933 independent reflections |
Radiation source: fine-focus sealed tube | 7743 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.041 |
φ and ω scans | θmax = 32.8°, θmin = 1.0° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2002) | h = −17→17 |
Tmin = 0.373, Tmax = 0.796 | k = −30→29 |
43581 measured reflections | l = −17→16 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.033 | H-atom parameters not defined |
wR(F2) = 0.089 | w = 1/[σ2(Fo2) + (0.0464P)2 + 3.996P] where P = (Fo2 + 2Fc2)/3 |
S = 1.01 | (Δ/σ)max < 0.001 |
8933 reflections | Δρmax = 1.68 e Å−3 |
353 parameters | Δρmin = −0.74 e Å−3 |
0 restraints |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ce | 0.75014 (9) | 0.064031 (8) | 0.232910 (19) | 0.01618 (5) | |
K1 | 0.93502 (14) | 0.07506 (8) | 0.80057 (14) | 0.0326 (3) | |
K2 | 0.57187 (14) | 0.07894 (7) | 0.67944 (13) | 0.0299 (3) | |
K3 | 0.81131 (15) | 0.41926 (7) | 0.56166 (12) | 0.0300 (3) | |
K4 | 1.19505 (16) | 0.07933 (8) | 0.43179 (14) | 0.0341 (3) | |
K5 | 1.10531 (16) | 0.25484 (7) | 0.95974 (14) | 0.0403 (3) | |
K6A | 1.0276 (2) | 0.25264 (12) | 0.5850 (2) | 0.0318 (5) | 0.50 |
K6B | 0.9724 (2) | 0.24450 (14) | 0.3688 (3) | 0.0344 (6) | 0.50 |
S1 | 0.75229 (18) | −0.12899 (4) | 0.24366 (8) | 0.02206 (15) | |
O11 | 0.8637 (5) | −0.1487 (3) | 0.2884 (7) | 0.092 (2) | |
O12 | 0.6607 (6) | −0.1391 (3) | 0.3361 (5) | 0.080 (2) | |
O13 | 0.7227 (5) | −0.1684 (2) | 0.1392 (3) | 0.0499 (11) | |
O14 | 0.7528 (7) | −0.05769 (14) | 0.2100 (4) | 0.0455 (10) | |
S2 | 0.64239 (13) | 0.08980 (7) | −0.01228 (11) | 0.0188 (2) | |
O21 | 0.5310 (4) | 0.1225 (2) | −0.0412 (4) | 0.0296 (8) | |
O22 | 0.7216 (4) | 0.1355 (2) | 0.0598 (3) | 0.0227 (7) | |
O23 | 0.7034 (5) | 0.0642 (2) | −0.1173 (4) | 0.0330 (11) | |
O24 | 0.6220 (4) | 0.03094 (18) | 0.0741 (3) | 0.0235 (8) | |
S3 | 0.99851 (15) | 0.09101 (7) | 0.13175 (11) | 0.0200 (2) | |
O31 | 1.0280 (4) | 0.1243 (2) | 0.0203 (4) | 0.0337 (10) | |
O32 | 0.9224 (4) | 0.1371 (2) | 0.2097 (3) | 0.0240 (8) | |
O33 | 1.1022 (5) | 0.0677 (3) | 0.1975 (5) | 0.0335 (11) | |
O34 | 0.9142 (4) | 0.03368 (18) | 0.1126 (3) | 0.0229 (8) | |
S4 | 0.85770 (13) | 0.08670 (7) | 0.47858 (10) | 0.0200 (2) | |
O41 | 0.9720 (4) | 0.1178 (2) | 0.5009 (4) | 0.0312 (9) | |
O42 | 0.8707 (4) | 0.02686 (17) | 0.3928 (3) | 0.0233 (8) | |
O43 | 0.7753 (4) | 0.1326 (2) | 0.4111 (3) | 0.0221 (7) | |
O44 | 0.8008 (5) | 0.0622 (2) | 0.5874 (4) | 0.0328 (11) | |
S5 | 0.50690 (14) | 0.08712 (7) | 0.34547 (11) | 0.0187 (2) | |
O51 | 0.4881 (4) | 0.1196 (2) | 0.4588 (4) | 0.0322 (9) | |
O52 | 0.5740 (4) | 0.1341 (2) | 0.2624 (3) | 0.0206 (7) | |
O53 | 0.5918 (4) | 0.02902 (18) | 0.3561 (3) | 0.0232 (8) | |
O54 | 0.3960 (4) | 0.0637 (2) | 0.2915 (4) | 0.0279 (10) | |
S6 | 0.7556 (2) | 0.24696 (16) | 0.73797 (14) | 0.0455 (3) | |
O61 | 0.7299 (6) | 0.2921 (3) | 0.8446 (6) | 0.0501 (14) | |
O62 | 0.8553 (8) | 0.2033 (4) | 0.7716 (8) | 0.081 (2) | |
O63 | 0.6455 (6) | 0.2103 (3) | 0.7063 (5) | 0.0493 (14) | |
O64 | 0.7880 (6) | 0.2899 (3) | 0.6354 (6) | 0.0564 (16) | |
O1 | 0.8654 (4) | 0.2533 (2) | 1.0285 (4) | 0.0387 (11) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ce | 0.01854 (9) | 0.01464 (7) | 0.01537 (8) | 0.00082 (13) | 0.0010 (2) | −0.00053 (6) |
K1 | 0.0305 (7) | 0.0239 (6) | 0.0433 (7) | 0.0017 (5) | −0.0091 (6) | −0.0002 (5) |
K2 | 0.0344 (7) | 0.0229 (6) | 0.0325 (6) | −0.0028 (5) | −0.0087 (5) | 0.0012 (4) |
K3 | 0.0379 (8) | 0.0221 (6) | 0.0300 (6) | −0.0020 (5) | 0.0070 (5) | 0.0010 (5) |
K4 | 0.0368 (8) | 0.0264 (6) | 0.0391 (7) | 0.0001 (5) | 0.0120 (6) | 0.0029 (5) |
K5 | 0.0468 (8) | 0.0306 (6) | 0.0436 (7) | 0.0074 (6) | 0.0119 (6) | 0.0017 (5) |
K6A | 0.0349 (12) | 0.0230 (10) | 0.0374 (12) | 0.0001 (9) | −0.0074 (9) | 0.0082 (9) |
K6B | 0.0310 (12) | 0.0173 (10) | 0.0548 (16) | −0.0031 (9) | 0.0018 (11) | −0.0090 (9) |
S1 | 0.0262 (5) | 0.0173 (3) | 0.0227 (6) | 0.0013 (7) | 0.0020 (6) | 0.0027 (3) |
O11 | 0.058 (4) | 0.078 (4) | 0.139 (6) | −0.007 (3) | −0.061 (4) | 0.052 (4) |
O12 | 0.107 (5) | 0.057 (3) | 0.075 (3) | 0.026 (3) | 0.069 (3) | 0.023 (3) |
O13 | 0.077 (3) | 0.0351 (19) | 0.037 (2) | −0.008 (2) | −0.002 (2) | −0.0121 (16) |
O14 | 0.079 (3) | 0.0179 (13) | 0.039 (2) | −0.004 (3) | 0.009 (3) | 0.0005 (13) |
S2 | 0.0198 (6) | 0.0198 (5) | 0.0168 (5) | 0.0015 (4) | −0.0009 (4) | 0.0009 (4) |
O21 | 0.0232 (18) | 0.0283 (19) | 0.037 (2) | 0.0029 (15) | −0.0047 (16) | −0.0002 (16) |
O22 | 0.0235 (18) | 0.0219 (17) | 0.0225 (16) | −0.0052 (14) | −0.0022 (14) | 0.0003 (13) |
O23 | 0.039 (3) | 0.042 (2) | 0.0181 (18) | 0.0114 (19) | −0.0004 (18) | −0.0019 (15) |
O24 | 0.030 (2) | 0.0186 (16) | 0.0215 (17) | −0.0032 (14) | −0.0021 (15) | −0.0035 (12) |
S3 | 0.0189 (6) | 0.0214 (6) | 0.0197 (5) | 0.0019 (4) | 0.0027 (4) | −0.0005 (4) |
O31 | 0.040 (2) | 0.035 (2) | 0.0265 (19) | −0.0045 (17) | 0.0098 (17) | 0.0028 (15) |
O32 | 0.0243 (18) | 0.0212 (17) | 0.0264 (17) | 0.0011 (14) | 0.0020 (14) | −0.0048 (13) |
O33 | 0.022 (2) | 0.044 (2) | 0.035 (2) | 0.0062 (17) | −0.0032 (17) | 0.0002 (18) |
O34 | 0.0213 (17) | 0.0198 (16) | 0.0276 (18) | 0.0018 (13) | 0.0026 (14) | −0.0030 (13) |
S4 | 0.0206 (6) | 0.0221 (5) | 0.0173 (5) | −0.0002 (4) | −0.0020 (4) | 0.0015 (4) |
O41 | 0.0222 (18) | 0.030 (2) | 0.042 (2) | −0.0084 (15) | −0.0072 (17) | −0.0034 (17) |
O42 | 0.0310 (19) | 0.0166 (15) | 0.0221 (17) | 0.0020 (14) | −0.0012 (15) | −0.0067 (12) |
O43 | 0.0226 (18) | 0.0225 (17) | 0.0211 (16) | 0.0040 (14) | −0.0026 (14) | −0.0024 (13) |
O44 | 0.040 (3) | 0.037 (2) | 0.021 (2) | −0.0038 (19) | 0.0039 (19) | 0.0061 (15) |
S5 | 0.0182 (5) | 0.0184 (5) | 0.0194 (5) | −0.0011 (4) | 0.0025 (4) | −0.0019 (4) |
O51 | 0.039 (2) | 0.037 (2) | 0.0200 (16) | −0.0001 (17) | 0.0090 (16) | −0.0020 (15) |
O52 | 0.0214 (17) | 0.0197 (16) | 0.0206 (15) | 0.0004 (14) | 0.0024 (13) | 0.0031 (12) |
O53 | 0.0235 (18) | 0.0202 (16) | 0.0259 (18) | −0.0019 (13) | 0.0027 (14) | 0.0086 (13) |
O54 | 0.0151 (19) | 0.033 (2) | 0.036 (2) | −0.0017 (14) | −0.0027 (16) | −0.0002 (17) |
S6 | 0.0548 (9) | 0.0240 (6) | 0.0575 (10) | −0.0001 (6) | −0.0097 (10) | 0.0007 (7) |
O61 | 0.060 (3) | 0.041 (3) | 0.050 (3) | 0.009 (2) | −0.004 (3) | −0.016 (2) |
O62 | 0.075 (5) | 0.053 (4) | 0.116 (6) | 0.037 (3) | −0.005 (4) | 0.009 (4) |
O63 | 0.061 (3) | 0.040 (3) | 0.047 (3) | −0.023 (2) | 0.009 (2) | −0.006 (2) |
O64 | 0.068 (4) | 0.046 (3) | 0.055 (3) | −0.024 (3) | 0.002 (3) | 0.016 (2) |
O1 | 0.049 (3) | 0.0155 (17) | 0.051 (2) | −0.0143 (18) | −0.0041 (19) | 0.0096 (15) |
Ce—O53 | 2.363 (4) | K6B—O21vi | 2.905 (5) |
Ce—O42 | 2.367 (4) | K6B—O41 | 2.922 (6) |
Ce—O34 | 2.367 (4) | K6B—O61viii | 2.997 (7) |
Ce—O24 | 2.384 (4) | K6B—O43 | 3.175 (5) |
Ce—O22 | 2.430 (4) | K6B—S6viii | 3.513 (3) |
Ce—O14 | 2.433 (3) | K6B—S4 | 3.609 (3) |
Ce—O32 | 2.435 (4) | K6B—S1vii | 3.779 (3) |
Ce—O43 | 2.439 (4) | S1—O11 | 1.404 (5) |
Ce—O52 | 2.443 (4) | S1—O13 | 1.450 (4) |
Ce—S4 | 3.0457 (12) | S1—O14 | 1.466 (3) |
Ce—S5 | 3.0498 (13) | S1—O12 | 1.478 (5) |
Ce—S2 | 3.0514 (12) | S1—K3x | 3.6334 (17) |
K1—O62 | 2.721 (7) | S1—K1ii | 3.708 (2) |
K1—O23i | 2.772 (5) | S1—K5ii | 3.7502 (18) |
K1—O44 | 2.840 (5) | S1—K6Bx | 3.779 (3) |
K1—O31i | 2.853 (5) | O11—K6Aii | 2.788 (6) |
K1—O33ii | 2.868 (5) | O11—K1ii | 2.876 (7) |
K1—O11ii | 2.876 (7) | O12—K2iii | 2.880 (7) |
K1—O34ii | 2.913 (4) | O12—K4ii | 3.290 (8) |
K1—S3ii | 3.468 (2) | O13—K6Bx | 2.795 (5) |
K1—S1ii | 3.708 (2) | O13—K5ii | 2.817 (5) |
K1—S4 | 3.7281 (19) | O13—K3x | 2.877 (4) |
K1—K4ii | 4.284 (2) | O14—K3x | 3.170 (5) |
K1—K2 | 4.300 (2) | S2—O21 | 1.447 (4) |
K2—O23i | 2.734 (5) | S2—O23 | 1.458 (5) |
K2—O63 | 2.755 (5) | S2—O22 | 1.507 (4) |
K2—O51 | 2.772 (5) | S2—O24 | 1.538 (4) |
K2—O44 | 2.796 (6) | S2—K3x | 3.474 (2) |
K2—O53iii | 2.853 (4) | S2—K6Aiv | 3.560 (3) |
K2—O54iii | 2.875 (5) | S2—K2xi | 3.5601 (19) |
K2—O12iii | 2.880 (7) | O21—K3iv | 2.852 (5) |
K2—O21i | 3.291 (4) | O21—K6Aiv | 2.859 (5) |
K2—S5iii | 3.4280 (19) | O21—K6Biv | 2.905 (5) |
K2—S2i | 3.5601 (19) | O21—K2xi | 3.291 (4) |
K2—K5iv | 4.142 (2) | O22—K6Aiv | 3.127 (5) |
K2—K6Bv | 4.255 (3) | O23—K2xi | 2.734 (5) |
K3—O64 | 2.714 (6) | O23—K1xi | 2.772 (5) |
K3—O54vi | 2.773 (5) | O23—K3x | 2.952 (5) |
K3—O24vii | 2.797 (4) | O24—K3x | 2.797 (4) |
K3—O33v | 2.818 (5) | S3—O33 | 1.454 (5) |
K3—O21vi | 2.852 (5) | S3—O31 | 1.456 (4) |
K3—O13vii | 2.877 (4) | S3—O34 | 1.497 (4) |
K3—O23vii | 2.952 (5) | S3—O32 | 1.531 (4) |
K3—O14vii | 3.170 (5) | S3—K1ii | 3.468 (2) |
K3—O31v | 3.331 (5) | S3—K3viii | 3.610 (2) |
K3—S2vii | 3.474 (2) | O31—K5xi | 2.819 (5) |
K3—S3v | 3.610 (2) | O31—K1xi | 2.853 (5) |
K3—S1vii | 3.6334 (17) | O31—K3viii | 3.331 (5) |
K4—O41 | 2.735 (4) | O33—K3viii | 2.818 (5) |
K4—O61viii | 2.765 (6) | O33—K1ii | 2.868 (5) |
K4—O54ix | 2.775 (5) | O34—K1ii | 2.913 (4) |
K4—O44ii | 2.822 (5) | S4—O41 | 1.447 (4) |
K4—O33 | 2.840 (5) | S4—O44 | 1.465 (5) |
K4—O42ii | 2.982 (4) | S4—O43 | 1.503 (4) |
K4—O12ii | 3.290 (8) | S4—O42 | 1.538 (4) |
K4—O51ix | 3.402 (5) | S4—K4ii | 3.501 (2) |
K4—S4ii | 3.501 (2) | O42—K4ii | 2.982 (4) |
K4—S5ix | 3.642 (2) | O43—K5iv | 2.993 (4) |
K4—K6B | 4.186 (3) | O44—K4ii | 2.822 (5) |
K4—K2ii | 4.282 (2) | S5—O51 | 1.444 (4) |
K5—O1 | 2.807 (5) | S5—O54 | 1.461 (5) |
K5—O13ii | 2.817 (5) | S5—O53 | 1.502 (4) |
K5—O31i | 2.819 (5) | S5—O52 | 1.522 (4) |
K5—O51vi | 2.821 (5) | S5—K2iii | 3.4281 (19) |
K5—O63vi | 2.892 (6) | S5—K5iv | 3.568 (2) |
K5—O64vi | 2.982 (7) | S5—K4xii | 3.642 (2) |
K5—O43vi | 2.993 (4) | O51—K5iv | 2.821 (5) |
K5—O52vi | 3.149 (4) | O51—K4xii | 3.402 (5) |
K5—S6vi | 3.551 (2) | O52—K6Aiv | 3.050 (5) |
K5—S5vi | 3.568 (2) | O52—K5iv | 3.149 (4) |
K5—S1ii | 3.7502 (18) | O53—K2iii | 2.853 (4) |
K5—K2vi | 4.142 (2) | O54—K3iv | 2.773 (5) |
K6A—K6B | 2.512 (4) | O54—K4xii | 2.775 (5) |
K6A—O11ii | 2.788 (6) | O54—K2iii | 2.875 (5) |
K6A—O64 | 2.850 (8) | S6—O62 | 1.465 (7) |
K6A—O21vi | 2.859 (5) | S6—O63 | 1.478 (6) |
K6A—O41 | 2.908 (5) | S6—O64 | 1.481 (6) |
K6A—O62 | 3.022 (9) | S6—O61 | 1.525 (6) |
K6A—O52vi | 3.050 (5) | S6—K6Bv | 3.513 (3) |
K6A—O22vi | 3.126 (5) | S6—K5iv | 3.551 (2) |
K6A—S6 | 3.513 (3) | O61—K4v | 2.765 (6) |
K6A—S2vi | 3.560 (3) | O61—K6Bv | 2.997 (7) |
K6B—O13vii | 2.795 (5) | O63—K6Bv | 2.819 (7) |
K6B—O63viii | 2.819 (7) | O63—K5iv | 2.892 (6) |
K6B—O32 | 2.840 (5) | O64—K5iv | 2.982 (7) |
O53—Ce—O42 | 83.88 (14) | O13ii—K5—K2vi | 141.73 (11) |
O53—Ce—O34 | 148.07 (14) | O31i—K5—K2vi | 124.12 (10) |
O42—Ce—O34 | 84.81 (16) | O51vi—K5—K2vi | 41.77 (9) |
O53—Ce—O24 | 84.46 (16) | O63vi—K5—K2vi | 41.54 (11) |
O42—Ce—O24 | 145.75 (13) | O64vi—K5—K2vi | 84.61 (11) |
O34—Ce—O24 | 88.36 (14) | O43vi—K5—K2vi | 64.65 (8) |
O53—Ce—O22 | 122.92 (13) | O52vi—K5—K2vi | 81.45 (8) |
O42—Ce—O22 | 149.89 (13) | S6vi—K5—K2vi | 61.73 (6) |
O34—Ce—O22 | 78.04 (13) | S5vi—K5—K2vi | 58.96 (3) |
O24—Ce—O22 | 58.86 (13) | S1ii—K5—K2vi | 159.22 (6) |
O53—Ce—O14 | 77.21 (17) | O11ii—K6A—O64 | 120.2 (2) |
O42—Ce—O14 | 76.28 (17) | O11ii—K6A—O21vi | 152.88 (18) |
O34—Ce—O14 | 71.12 (17) | O64—K6A—O21vi | 83.50 (16) |
O24—Ce—O14 | 69.76 (18) | O11ii—K6A—O41 | 64.99 (18) |
O22—Ce—O14 | 119.88 (14) | O64—K6A—O41 | 95.84 (16) |
O53—Ce—O32 | 147.01 (13) | O21vi—K6A—O41 | 129.86 (16) |
O42—Ce—O32 | 79.26 (13) | O11ii—K6A—O62 | 71.7 (2) |
O34—Ce—O32 | 58.02 (13) | O64—K6A—O62 | 48.62 (13) |
O24—Ce—O32 | 124.29 (12) | O21vi—K6A—O62 | 129.45 (17) |
O22—Ce—O32 | 70.67 (13) | O41—K6A—O62 | 77.85 (19) |
O14—Ce—O32 | 124.9 (2) | O11ii—K6A—O52vi | 97.99 (19) |
O53—Ce—O43 | 76.65 (13) | O64—K6A—O52vi | 80.70 (16) |
O42—Ce—O43 | 59.01 (12) | O21vi—K6A—O52vi | 71.45 (12) |
O34—Ce—O43 | 121.52 (13) | O41—K6A—O52vi | 158.17 (15) |
O24—Ce—O43 | 146.96 (13) | O62—K6A—O52vi | 83.94 (19) |
O22—Ce—O43 | 110.26 (16) | O11ii—K6A—O22vi | 105.57 (16) |
O14—Ce—O43 | 129.86 (14) | O64—K6A—O22vi | 119.50 (16) |
O32—Ce—O43 | 70.36 (13) | O21vi—K6A—O22vi | 47.77 (12) |
O53—Ce—O52 | 58.45 (12) | O41—K6A—O22vi | 140.76 (15) |
O42—Ce—O52 | 122.50 (12) | O62—K6A—O22vi | 137.9 (2) |
O34—Ce—O52 | 148.74 (12) | O52vi—K6A—O22vi | 54.33 (9) |
O24—Ce—O52 | 76.75 (13) | O11ii—K6A—S6 | 96.14 (18) |
O22—Ce—O52 | 70.73 (13) | O64—K6A—S6 | 24.16 (13) |
O14—Ce—O52 | 126.2 (2) | O21vi—K6A—S6 | 106.47 (12) |
O32—Ce—O52 | 108.61 (16) | O41—K6A—S6 | 86.74 (12) |
O43—Ce—O52 | 70.29 (12) | O62—K6A—S6 | 24.46 (14) |
O53—Ce—S4 | 79.03 (10) | O52vi—K6A—S6 | 81.45 (11) |
O42—Ce—S4 | 29.78 (9) | O22vi—K6A—S6 | 132.46 (12) |
O34—Ce—S4 | 104.36 (10) | O11ii—K6A—S2vi | 130.53 (15) |
O24—Ce—S4 | 163.30 (10) | O64—K6A—S2vi | 100.12 (13) |
O22—Ce—S4 | 133.72 (10) | O21vi—K6A—S2vi | 22.89 (9) |
O14—Ce—S4 | 103.77 (13) | O41—K6A—S2vi | 141.99 (13) |
O32—Ce—S4 | 72.24 (9) | O62—K6A—S2vi | 137.05 (17) |
O43—Ce—S4 | 29.23 (10) | O52vi—K6A—S2vi | 59.37 (8) |
O52—Ce—S4 | 96.47 (9) | O22vi—K6A—S2vi | 24.98 (8) |
O53—Ce—S5 | 28.82 (9) | S6—K6A—S2vi | 119.68 (9) |
O42—Ce—S5 | 104.10 (10) | O11ii—K6A—K3 | 152.4 (2) |
O34—Ce—S5 | 167.28 (10) | O64—K6A—K3 | 41.04 (12) |
O24—Ce—S5 | 79.17 (10) | O21vi—K6A—K3 | 43.82 (9) |
O22—Ce—S5 | 97.34 (10) | O41—K6A—K3 | 126.43 (11) |
O14—Ce—S5 | 101.81 (16) | O62—K6A—K3 | 85.74 (14) |
O32—Ce—S5 | 131.94 (10) | O52vi—K6A—K3 | 63.14 (9) |
O43—Ce—S5 | 71.18 (9) | O22vi—K6A—K3 | 80.45 (9) |
O52—Ce—S5 | 29.64 (9) | S6—K6A—K3 | 62.78 (7) |
S4—Ce—S5 | 87.45 (4) | S2vi—K6A—K3 | 59.14 (5) |
O53—Ce—S2 | 106.33 (10) | O11ii—K6A—K4 | 54.41 (19) |
O42—Ce—S2 | 164.53 (9) | O64—K6A—K4 | 134.76 (15) |
O34—Ce—S2 | 80.46 (10) | O21vi—K6A—K4 | 119.42 (12) |
O24—Ce—S2 | 29.76 (9) | O41—K6A—K4 | 39.07 (9) |
O22—Ce—S2 | 29.20 (9) | O62—K6A—K4 | 107.52 (15) |
O14—Ce—S2 | 94.37 (13) | O52vi—K6A—K4 | 141.32 (10) |
O32—Ce—S2 | 96.72 (9) | O22vi—K6A—K4 | 103.16 (10) |
O43—Ce—S2 | 133.90 (10) | S6—K6A—K4 | 123.65 (9) |
O52—Ce—S2 | 72.96 (9) | S2vi—K6A—K4 | 115.04 (7) |
S4—Ce—S2 | 161.83 (4) | K3—K6A—K4 | 151.67 (7) |
S5—Ce—S2 | 89.75 (4) | O13vii—K6B—O63viii | 108.93 (17) |
O62—K1—O23i | 78.7 (2) | O13vii—K6B—O32 | 106.91 (16) |
O62—K1—O44 | 79.0 (2) | O63viii—K6B—O32 | 88.10 (17) |
O23i—K1—O44 | 77.12 (15) | O13vii—K6B—O21vi | 67.96 (14) |
O62—K1—O31i | 84.4 (2) | O63viii—K6B—O21vi | 77.27 (16) |
O23i—K1—O31i | 94.60 (14) | O32—K6B—O21vi | 161.32 (17) |
O44—K1—O31i | 162.56 (16) | O13vii—K6B—O41 | 123.19 (15) |
O62—K1—O33ii | 151.6 (2) | O63viii—K6B—O41 | 127.29 (16) |
O23i—K1—O33ii | 77.48 (14) | O32—K6B—O41 | 70.87 (13) |
O44—K1—O33ii | 80.83 (14) | O21vi—K6B—O41 | 127.41 (17) |
O31i—K1—O33ii | 112.71 (15) | O13vii—K6B—O61viii | 154.83 (18) |
O62—K1—O11ii | 75.0 (2) | O63viii—K6B—O61viii | 49.48 (12) |
O23i—K1—O11ii | 153.55 (19) | O32—K6B—O61viii | 87.13 (16) |
O44—K1—O11ii | 99.70 (17) | O21vi—K6B—O61viii | 91.99 (16) |
O31i—K1—O11ii | 80.79 (18) | O41—K6B—O61viii | 80.80 (15) |
O33ii—K1—O11ii | 128.4 (2) | K6A—K6B—O43 | 94.06 (13) |
O62—K1—O34ii | 157.8 (2) | O13vii—K6B—O43 | 83.74 (13) |
O23i—K1—O34ii | 112.12 (13) | O63viii—K6B—O43 | 143.40 (17) |
O44—K1—O34ii | 121.57 (13) | O32—K6B—O43 | 55.32 (10) |
O31i—K1—O34ii | 75.70 (13) | O21vi—K6B—O43 | 137.95 (14) |
O33ii—K1—O34ii | 49.34 (13) | O41—K6B—O43 | 47.05 (11) |
O11ii—K1—O34ii | 92.10 (15) | O61viii—K6B—O43 | 121.18 (16) |
O62—K1—S3ii | 171.26 (19) | K6A—K6B—S6viii | 100.40 (10) |
O23i—K1—S3ii | 93.14 (11) | O13vii—K6B—S6viii | 131.91 (15) |
O44—K1—S3ii | 102.33 (11) | O63viii—K6B—S6viii | 23.94 (12) |
O31i—K1—S3ii | 93.35 (11) | O32—K6B—S6viii | 87.16 (11) |
O33ii—K1—S3ii | 24.25 (11) | O21vi—K6B—S6viii | 84.11 (12) |
O11ii—K1—S3ii | 113.05 (14) | O41—K6B—S6viii | 104.90 (12) |
O34ii—K1—S3ii | 25.27 (8) | O61viii—K6B—S6viii | 25.55 (12) |
O62—K1—S1ii | 91.4 (2) | O43—K6B—S6viii | 136.83 (12) |
O23i—K1—S1ii | 163.31 (11) | O13vii—K6B—S4 | 105.55 (12) |
O44—K1—S1ii | 114.46 (12) | O63viii—K6B—S4 | 138.25 (14) |
O31i—K1—S1ii | 70.85 (9) | O32—K6B—S4 | 59.48 (10) |
O33ii—K1—S1ii | 115.17 (11) | O21vi—K6B—S4 | 138.79 (14) |
O11ii—K1—S1ii | 19.93 (10) | O41—K6B—S4 | 22.62 (8) |
O34ii—K1—S1ii | 73.06 (9) | O61viii—K6B—S4 | 99.56 (13) |
S3ii—K1—S1ii | 95.78 (5) | O43—K6B—S4 | 24.55 (8) |
O62—K1—S4 | 75.51 (19) | S6viii—K6B—S4 | 120.65 (10) |
O23i—K1—S4 | 96.40 (10) | O13vii—K6B—S1vii | 18.86 (8) |
O44—K1—S4 | 20.62 (11) | O63viii—K6B—S1vii | 91.87 (15) |
O31i—K1—S4 | 154.62 (11) | O32—K6B—S1vii | 99.09 (12) |
O33ii—K1—S4 | 92.01 (12) | O21vi—K6B—S1vii | 70.23 (10) |
O11ii—K1—S4 | 79.18 (14) | O41—K6B—S1vii | 137.82 (12) |
O34ii—K1—S4 | 120.36 (9) | O61viii—K6B—S1vii | 140.86 (15) |
S3ii—K1—S4 | 108.77 (5) | O43—K6B—S1vii | 92.88 (10) |
S1ii—K1—S4 | 94.04 (5) | S6viii—K6B—S1vii | 115.65 (11) |
O62—K1—K4ii | 119.1 (2) | S4—K6B—S1vii | 116.96 (8) |
O23i—K1—K4ii | 80.11 (11) | O13vii—K6B—K4 | 163.64 (13) |
O44—K1—K4ii | 40.67 (11) | O63viii—K6B—K4 | 86.93 (12) |
O31i—K1—K4ii | 153.81 (11) | O32—K6B—K4 | 68.57 (10) |
O33ii—K1—K4ii | 41.12 (11) | O21vi—K6B—K4 | 121.33 (12) |
O11ii—K1—K4ii | 114.83 (18) | O41—K6B—K4 | 40.58 (9) |
O34ii—K1—K4ii | 82.56 (8) | O61viii—K6B—K4 | 41.27 (11) |
S3ii—K1—K4ii | 61.66 (3) | O43—K6B—K4 | 80.93 (10) |
S1ii—K1—K4ii | 116.56 (4) | S6viii—K6B—K4 | 64.35 (7) |
S4—K1—K4ii | 51.24 (4) | S4—K6B—K4 | 58.32 (5) |
O62—K1—K2 | 68.5 (2) | S1vii—K6B—K4 | 167.62 (8) |
O23i—K1—K2 | 38.35 (9) | O11—S1—O13 | 110.0 (4) |
O44—K1—K2 | 39.89 (11) | O11—S1—O14 | 111.0 (4) |
O31i—K1—K2 | 127.82 (11) | O13—S1—O14 | 108.3 (3) |
O33ii—K1—K2 | 83.21 (11) | O11—S1—O12 | 109.4 (4) |
O11ii—K1—K2 | 128.86 (11) | O13—S1—O12 | 109.7 (3) |
O34ii—K1—K2 | 132.10 (9) | O14—S1—O12 | 108.4 (3) |
S3ii—K1—K2 | 106.88 (5) | O11—S1—K3x | 125.8 (3) |
S1ii—K1—K2 | 148.35 (5) | O13—S1—K3x | 48.16 (17) |
S4—K1—K2 | 58.17 (4) | O14—S1—K3x | 60.15 (18) |
K4ii—K1—K2 | 59.84 (4) | O12—S1—K3x | 124.4 (3) |
O23i—K2—O63 | 81.27 (18) | O13—S1—K1ii | 105.2 (2) |
O23i—K2—O51 | 163.96 (16) | O14—S1—K1ii | 71.5 (3) |
O63—K2—O51 | 85.60 (17) | O12—S1—K1ii | 142.7 (3) |
O23i—K2—O44 | 78.49 (15) | K3x—S1—K1ii | 88.93 (5) |
O63—K2—O44 | 82.90 (18) | O11—S1—K5ii | 69.5 (4) |
O51—K2—O44 | 90.82 (14) | O14—S1—K5ii | 119.02 (19) |
O23i—K2—O53iii | 112.54 (14) | O12—S1—K5ii | 129.5 (2) |
O63—K2—O53iii | 157.11 (18) | K3x—S1—K5ii | 71.52 (4) |
O51—K2—O53iii | 82.90 (13) | K1ii—S1—K5ii | 72.85 (5) |
O44—K2—O53iii | 116.90 (14) | O11—S1—K6Bx | 121.9 (3) |
O23i—K2—O54iii | 74.46 (14) | O14—S1—K6Bx | 124.0 (3) |
O63—K2—O54iii | 152.11 (19) | O12—S1—K6Bx | 71.3 (3) |
O51—K2—O54iii | 115.54 (15) | K3x—S1—K6Bx | 74.31 (6) |
O44—K2—O54iii | 79.02 (14) | K1ii—S1—K6Bx | 141.26 (6) |
O53iii—K2—O54iii | 49.87 (12) | K5ii—S1—K6Bx | 68.78 (5) |
O23i—K2—O12iii | 125.74 (17) | S1—O11—K6Aii | 141.1 (4) |
O63—K2—O12iii | 83.4 (2) | S1—O11—K1ii | 115.8 (3) |
O51—K2—O12iii | 61.19 (14) | K6Aii—O11—K1ii | 102.2 (2) |
O44—K2—O12iii | 149.66 (15) | S1—O12—K2iii | 122.3 (3) |
O53iii—K2—O12iii | 73.69 (16) | S1—O12—K4ii | 99.6 (4) |
O54iii—K2—O12iii | 122.01 (16) | K2iii—O12—K4ii | 110.09 (17) |
O23i—K2—O21i | 46.14 (12) | S1—O13—K6Bx | 122.6 (3) |
O63—K2—O21i | 71.87 (14) | S1—O13—K5ii | 119.5 (3) |
O51—K2—O21i | 136.84 (11) | K6Bx—O13—K5ii | 98.56 (13) |
O44—K2—O21i | 121.02 (13) | S1—O13—K3x | 109.8 (2) |
O53iii—K2—O21i | 103.88 (11) | K6Bx—O13—K3x | 104.30 (16) |
O54iii—K2—O21i | 99.72 (13) | K5ii—O13—K3x | 98.59 (13) |
O12iii—K2—O21i | 79.62 (15) | S1—O14—Ce | 159.0 (2) |
O23i—K2—S5iii | 95.97 (12) | S1—O14—K3x | 96.19 (19) |
O63—K2—S5iii | 176.97 (16) | Ce—O14—K3x | 104.05 (14) |
O51—K2—S5iii | 96.92 (11) | O21—S2—O23 | 112.5 (3) |
O44—K2—S5iii | 95.35 (11) | O21—S2—O22 | 111.1 (2) |
O53iii—K2—S5iii | 25.64 (8) | O23—S2—O22 | 111.6 (3) |
O54iii—K2—S5iii | 24.88 (9) | O21—S2—O24 | 110.7 (2) |
O12iii—K2—S5iii | 99.25 (14) | O23—S2—O24 | 108.5 (2) |
O21i—K2—S5iii | 107.13 (9) | O22—S2—O24 | 102.0 (2) |
O23i—K2—S2i | 22.21 (10) | O21—S2—Ce | 128.29 (18) |
O63—K2—S2i | 76.69 (13) | O23—S2—Ce | 119.1 (2) |
O51—K2—S2i | 158.13 (11) | O22—S2—Ce | 51.89 (15) |
O44—K2—S2i | 99.48 (10) | O24—S2—Ce | 50.30 (15) |
O53iii—K2—S2i | 108.89 (9) | O21—S2—K3x | 122.15 (19) |
O54iii—K2—S2i | 85.51 (10) | O23—S2—K3x | 57.3 (2) |
O12iii—K2—S2i | 103.53 (13) | O22—S2—K3x | 125.85 (17) |
O21i—K2—S2i | 23.98 (7) | O24—S2—K3x | 51.78 (14) |
S5iii—K2—S2i | 101.22 (5) | Ce—S2—K3x | 85.49 (4) |
O23i—K2—K5iv | 122.29 (12) | O21—S2—K6Aiv | 50.21 (18) |
O63—K2—K5iv | 44.12 (13) | O23—S2—K6Aiv | 136.6 (2) |
O51—K2—K5iv | 42.68 (10) | O22—S2—K6Aiv | 61.21 (17) |
O44—K2—K5iv | 77.82 (10) | O24—S2—K6Aiv | 114.86 (16) |
O53iii—K2—K5iv | 125.14 (9) | Ce—S2—K6Aiv | 90.75 (5) |
O54iii—K2—K5iv | 147.36 (11) | K3x—S2—K6Aiv | 164.12 (7) |
O12iii—K2—K5iv | 73.51 (11) | O21—S2—K2xi | 67.54 (18) |
O21i—K2—K5iv | 111.86 (9) | O23—S2—K2xi | 45.1 (2) |
S5iii—K2—K5iv | 137.97 (5) | O22—S2—K2xi | 133.62 (16) |
S2i—K2—K5iv | 120.79 (5) | O24—S2—K2xi | 122.38 (15) |
O23i—K2—K6Bv | 79.18 (11) | Ce—S2—K2xi | 162.99 (5) |
O63—K2—K6Bv | 40.80 (13) | K3x—S2—K2xi | 79.54 (4) |
O51—K2—K6Bv | 96.81 (11) | K6Aiv—S2—K2xi | 105.82 (5) |
O44—K2—K6Bv | 121.75 (11) | S2—O21—K3iv | 121.8 (2) |
O53iii—K2—K6Bv | 121.35 (10) | S2—O21—K6Aiv | 106.9 (2) |
O54iii—K2—K6Bv | 142.09 (12) | K3iv—O21—K6Aiv | 92.22 (14) |
O12iii—K2—K6Bv | 56.53 (15) | S2—O21—K6Biv | 133.0 (3) |
O21i—K2—K6Bv | 42.95 (9) | K3iv—O21—K6Biv | 102.15 (14) |
S5iii—K2—K6Bv | 140.05 (6) | K6Aiv—O21—K6Biv | 51.68 (11) |
S2i—K2—K6Bv | 61.37 (5) | S2—O21—K2xi | 88.48 (19) |
K5iv—K2—K6Bv | 70.44 (5) | K3iv—O21—K2xi | 115.70 (13) |
O64—K3—O54vi | 82.19 (18) | K6Aiv—O21—K2xi | 134.76 (16) |
O64—K3—O24vii | 160.84 (18) | K6Biv—O21—K2xi | 86.51 (13) |
O54vi—K3—O24vii | 108.65 (13) | S2—O22—Ce | 98.91 (19) |
O64—K3—O33v | 80.81 (19) | S2—O22—K6Aiv | 93.81 (19) |
O54vi—K3—O33v | 76.60 (12) | Ce—O22—K6Aiv | 115.69 (14) |
O24vii—K3—O33v | 116.59 (14) | S2—O23—K2xi | 112.6 (3) |
O64—K3—O21vi | 86.13 (18) | S2—O23—K1xi | 133.3 (3) |
O54vi—K3—O21vi | 96.79 (13) | K2xi—O23—K1xi | 102.67 (15) |
O24vii—K3—O21vi | 77.08 (13) | S2—O23—K3x | 98.2 (2) |
O33v—K3—O21vi | 166.03 (15) | K2xi—O23—K3x | 104.55 (17) |
O64—K3—O13vii | 69.73 (17) | K1xi—O23—K3x | 101.52 (16) |
O54vi—K3—O13vii | 148.25 (13) | S2—O24—Ce | 99.94 (19) |
O24vii—K3—O13vii | 95.02 (12) | S2—O24—K3x | 102.63 (18) |
O33v—K3—O13vii | 111.82 (16) | Ce—O24—K3x | 117.75 (16) |
O21vi—K3—O13vii | 67.60 (14) | O33—S3—O31 | 113.5 (3) |
O64—K3—O23vii | 148.64 (19) | O33—S3—O34 | 109.7 (3) |
O54vi—K3—O23vii | 72.68 (12) | O31—S3—O34 | 111.6 (3) |
O24vii—K3—O23vii | 49.95 (12) | O33—S3—O32 | 110.3 (3) |
O33v—K3—O23vii | 75.41 (14) | O31—S3—O32 | 110.4 (3) |
O21vi—K3—O23vii | 114.76 (14) | O34—S3—O32 | 100.6 (2) |
O13vii—K3—O23vii | 138.57 (12) | O33—S3—Ce | 119.0 (2) |
O64—K3—O14vii | 114.18 (16) | O31—S3—Ce | 127.5 (2) |
O54vi—K3—O14vii | 163.17 (14) | O34—S3—Ce | 48.95 (15) |
O24vii—K3—O14vii | 54.55 (12) | O32—S3—Ce | 51.79 (16) |
O33v—K3—O14vii | 108.7 (2) | O33—S3—K1ii | 54.1 (2) |
O21vi—K3—O14vii | 81.15 (16) | O31—S3—K1ii | 124.9 (2) |
O13vii—K3—O14vii | 45.71 (9) | O34—S3—K1ii | 56.18 (15) |
O23vii—K3—O14vii | 92.89 (11) | O32—S3—K1ii | 124.36 (17) |
O64—K3—O31v | 72.76 (17) | Ce—S3—K1ii | 87.02 (5) |
O54vi—K3—O31v | 119.18 (12) | O33—S3—K3viii | 46.6 (2) |
O24vii—K3—O31v | 112.80 (13) | O31—S3—K3viii | 67.3 (2) |
O33v—K3—O31v | 45.68 (13) | O34—S3—K3viii | 122.82 (16) |
O21vi—K3—O31v | 134.08 (9) | O32—S3—K3viii | 134.78 (17) |
O13vii—K3—O31v | 66.92 (13) | Ce—S3—K3viii | 163.65 (5) |
O23vii—K3—O31v | 103.25 (14) | K1ii—S3—K3viii | 77.57 (4) |
O14vii—K3—O31v | 71.84 (16) | S3—O31—K5xi | 134.2 (3) |
O64—K3—S2vii | 170.95 (16) | S3—O31—K1xi | 120.4 (3) |
O54vi—K3—S2vii | 88.76 (10) | K5xi—O31—K1xi | 102.64 (14) |
O24vii—K3—S2vii | 25.59 (8) | S3—O31—K3viii | 88.9 (2) |
O33v—K3—S2vii | 97.03 (11) | K5xi—O31—K3viii | 88.73 (13) |
O21vi—K3—S2vii | 95.10 (10) | K1xi—O31—K3viii | 112.29 (14) |
O13vii—K3—S2vii | 119.02 (9) | S3—O32—Ce | 98.6 (2) |
O23vii—K3—S2vii | 24.56 (9) | S3—O32—K6B | 134.5 (2) |
O14vii—K3—S2vii | 74.86 (7) | Ce—O32—K6B | 122.48 (16) |
O31v—K3—S2vii | 112.02 (10) | S3—O33—K3viii | 111.3 (3) |
O64—K3—S3v | 77.59 (15) | S3—O33—K4 | 137.5 (3) |
O54vi—K3—S3v | 97.79 (10) | K3viii—O33—K4 | 100.97 (17) |
O24vii—K3—S3v | 115.23 (10) | S3—O33—K1ii | 101.7 (3) |
O33v—K3—S3v | 22.04 (11) | K3viii—O33—K1ii | 102.54 (16) |
O21vi—K3—S3v | 156.39 (10) | K4—O33—K1ii | 97.28 (17) |
O13vii—K3—S3v | 90.55 (11) | S3—O34—Ce | 102.56 (19) |
O23vii—K3—S3v | 87.35 (11) | S3—O34—K1ii | 98.55 (19) |
O14vii—K3—S3v | 89.97 (15) | Ce—O34—K1ii | 116.79 (15) |
O31v—K3—S3v | 23.78 (8) | O41—S4—O44 | 112.7 (3) |
S2vii—K3—S3v | 103.67 (6) | O41—S4—O43 | 111.9 (3) |
O64—K3—S1vii | 91.14 (15) | O44—S4—O43 | 110.7 (3) |
O54vi—K3—S1vii | 168.29 (11) | O41—S4—O42 | 110.7 (2) |
O24vii—K3—S1vii | 75.30 (9) | O44—S4—O42 | 108.0 (3) |
O33v—K3—S1vii | 111.96 (13) | O43—S4—O42 | 102.3 (2) |
O21vi—K3—S1vii | 73.05 (9) | O41—S4—Ce | 124.80 (19) |
O13vii—K3—S1vii | 22.06 (7) | O44—S4—Ce | 122.4 (2) |
O23vii—K3—S1vii | 116.53 (10) | O43—S4—Ce | 52.39 (15) |
O14vii—K3—S1vii | 23.66 (5) | O42—S4—Ce | 49.86 (15) |
O31v—K3—S1vii | 67.29 (8) | O41—S4—K4ii | 120.26 (19) |
S2vii—K3—S1vii | 97.80 (4) | O44—S4—K4ii | 51.1 (2) |
S3v—K3—S1vii | 90.11 (5) | O43—S4—K4ii | 127.77 (18) |
O41—K4—O61viii | 88.45 (17) | O42—S4—K4ii | 57.86 (15) |
O41—K4—O54ix | 160.12 (16) | Ce—S4—K4ii | 93.13 (5) |
O61viii—K4—O54ix | 77.64 (17) | O41—S4—K6B | 50.96 (19) |
O41—K4—O44ii | 108.41 (16) | O44—S4—K6B | 137.0 (2) |
O61viii—K4—O44ii | 153.09 (18) | O43—S4—K6B | 61.34 (17) |
O54ix—K4—O44ii | 80.28 (15) | O42—S4—K6B | 115.03 (16) |
O41—K4—O33 | 87.22 (15) | Ce—S4—K6B | 87.70 (6) |
O61viii—K4—O33 | 78.36 (18) | K4ii—S4—K6B | 168.00 (7) |
O54ix—K4—O33 | 76.19 (13) | O41—S4—K1 | 69.72 (18) |
O44ii—K4—O33 | 81.61 (14) | O43—S4—K1 | 132.01 (15) |
O41—K4—O42ii | 77.37 (13) | O42—S4—K1 | 122.57 (15) |
O61viii—K4—O42ii | 157.51 (16) | Ce—S4—K1 | 164.25 (5) |
O54ix—K4—O42ii | 119.97 (13) | K4ii—S4—K1 | 72.62 (4) |
O44ii—K4—O42ii | 49.40 (12) | K6B—S4—K1 | 107.65 (7) |
O33—K4—O42ii | 117.68 (14) | S4—O41—K4 | 130.1 (2) |
O41—K4—O12ii | 97.10 (14) | S4—O41—K6A | 129.8 (3) |
O61viii—K4—O12ii | 82.96 (16) | K4—O41—K6A | 98.85 (14) |
O54ix—K4—O12ii | 95.24 (15) | S4—O41—K6B | 106.4 (2) |
O44ii—K4—O12ii | 114.37 (15) | K4—O41—K6B | 95.39 (14) |
O33—K4—O12ii | 160.72 (15) | K6A—O41—K6B | 51.05 (10) |
O42ii—K4—O12ii | 81.59 (12) | S4—O42—Ce | 100.35 (19) |
O41—K4—O51ix | 142.79 (10) | S4—O42—K4ii | 96.24 (17) |
O61viii—K4—O51ix | 71.10 (16) | Ce—O42—K4ii | 125.51 (16) |
O54ix—K4—O51ix | 44.61 (13) | S4—O43—Ce | 98.4 (2) |
O44ii—K4—O51ix | 103.03 (15) | S4—O43—K5iv | 138.9 (2) |
O33—K4—O51ix | 117.07 (13) | Ce—O43—K5iv | 119.65 (14) |
O42ii—K4—O51ix | 110.43 (12) | S4—O43—K6B | 94.11 (19) |
O12ii—K4—O51ix | 50.92 (12) | Ce—O43—K6B | 110.36 (14) |
O41—K4—S4ii | 91.49 (10) | K5iv—O43—K6B | 87.12 (12) |
O61viii—K4—S4ii | 175.72 (15) | S4—O44—K2 | 132.4 (3) |
O54ix—K4—S4ii | 101.33 (11) | S4—O44—K4ii | 105.0 (2) |
O44ii—K4—S4ii | 23.83 (10) | K2—O44—K4ii | 99.32 (17) |
O33—K4—S4ii | 97.37 (11) | S4—O44—K1 | 116.3 (3) |
O42ii—K4—S4ii | 25.89 (7) | K2—O44—K1 | 99.45 (15) |
O12ii—K4—S4ii | 101.28 (10) | K4ii—O44—K1 | 98.34 (16) |
O51ix—K4—S4ii | 111.14 (10) | O51—S5—O54 | 112.5 (3) |
O41—K4—S5ix | 161.24 (11) | O51—S5—O53 | 111.6 (3) |
O61viii—K4—S5ix | 74.27 (14) | O54—S5—O53 | 109.2 (2) |
O54ix—K4—S5ix | 21.32 (10) | O51—S5—O52 | 109.9 (2) |
O44ii—K4—S5ix | 90.35 (13) | O54—S5—O52 | 111.4 (3) |
O33—K4—S5ix | 96.19 (11) | O53—S5—O52 | 101.8 (2) |
O42ii—K4—S5ix | 116.51 (10) | O51—S5—Ce | 124.52 (19) |
O12ii—K4—S5ix | 73.95 (11) | O54—S5—Ce | 123.0 (2) |
O51ix—K4—S5ix | 23.34 (7) | O53—S5—Ce | 49.29 (14) |
S4ii—K4—S5ix | 106.29 (6) | O52—S5—Ce | 52.54 (15) |
O41—K4—K6B | 44.03 (10) | O51—S5—K2iii | 117.7 (2) |
O61viii—K4—K6B | 45.63 (14) | O54—S5—K2iii | 55.88 (19) |
O54ix—K4—K6B | 118.60 (12) | O53—S5—K2iii | 55.27 (16) |
O44ii—K4—K6B | 141.14 (13) | O52—S5—K2iii | 131.96 (16) |
O33—K4—K6B | 71.88 (12) | Ce—S5—K2iii | 93.02 (5) |
O42ii—K4—K6B | 121.17 (9) | O51—S5—K5iv | 48.30 (19) |
O12ii—K4—K6B | 98.27 (11) | O54—S5—K5iv | 133.92 (19) |
O51ix—K4—K6B | 114.11 (10) | O53—S5—K5iv | 116.86 (16) |
S4ii—K4—K6B | 133.32 (6) | O52—S5—K5iv | 61.80 (15) |
S5ix—K4—K6B | 119.78 (6) | Ce—S5—K5iv | 90.26 (4) |
O41—K4—K2ii | 148.23 (10) | K2iii—S5—K5iv | 163.05 (6) |
O61viii—K4—K2ii | 119.20 (14) | O51—S5—K4xii | 68.94 (19) |
O54ix—K4—K2ii | 41.61 (10) | O53—S5—K4xii | 123.87 (16) |
O44ii—K4—K2ii | 40.11 (12) | O52—S5—K4xii | 131.92 (17) |
O33—K4—K2ii | 83.85 (11) | Ce—S5—K4xii | 165.51 (5) |
O42ii—K4—K2ii | 79.98 (8) | K2iii—S5—K4xii | 74.48 (5) |
O12ii—K4—K2ii | 101.33 (11) | K5iv—S5—K4xii | 103.83 (5) |
O51ix—K4—K2ii | 66.81 (9) | S5—O51—K2 | 127.5 (3) |
S4ii—K4—K2ii | 59.73 (3) | S5—O51—K5iv | 109.2 (2) |
S5ix—K4—K2ii | 50.48 (4) | K2—O51—K5iv | 95.55 (15) |
K6B—K4—K2ii | 153.17 (7) | S5—O51—K4xii | 87.7 (2) |
O1—K5—O13ii | 139.69 (15) | K2—O51—K4xii | 109.74 (13) |
O1—K5—O31i | 68.05 (14) | K5iv—O51—K4xii | 131.33 (17) |
O13ii—K5—O31i | 75.33 (14) | S5—O52—Ce | 97.8 (2) |
O1—K5—O51vi | 64.03 (13) | S5—O52—K6Aiv | 140.3 (2) |
O13ii—K5—O51vi | 149.16 (13) | Ce—O52—K6Aiv | 117.98 (14) |
O31i—K5—O51vi | 132.08 (14) | S5—O52—K5iv | 92.97 (16) |
O1—K5—O63vi | 83.48 (17) | Ce—O52—K5iv | 113.94 (14) |
O13ii—K5—O63vi | 114.76 (15) | K6Aiv—O52—K5iv | 87.83 (12) |
O31i—K5—O63vi | 92.08 (16) | S5—O53—Ce | 101.89 (18) |
O51vi—K5—O63vi | 82.17 (14) | S5—O53—K2iii | 99.09 (19) |
O1—K5—O64vi | 118.33 (18) | Ce—O53—K2iii | 128.72 (16) |
O13ii—K5—O64vi | 66.89 (14) | S5—O54—K3iv | 129.7 (3) |
O31i—K5—O64vi | 77.16 (17) | S5—O54—K4xii | 115.0 (3) |
O51vi—K5—O64vi | 125.96 (15) | K3iv—O54—K4xii | 103.77 (16) |
O63vi—K5—O64vi | 47.98 (11) | S5—O54—K2iii | 99.2 (2) |
O1—K5—O43vi | 132.28 (14) | K3iv—O54—K2iii | 105.62 (16) |
O13ii—K5—O43vi | 86.82 (13) | K4xii—O54—K2iii | 98.53 (15) |
O31i—K5—O43vi | 158.27 (14) | O62—S6—O63 | 114.1 (6) |
O51vi—K5—O43vi | 68.70 (13) | O62—S6—O64 | 110.6 (5) |
O63vi—K5—O43vi | 84.13 (15) | O63—S6—O64 | 107.7 (4) |
O64vi—K5—O43vi | 84.54 (16) | O62—S6—O61 | 106.9 (4) |
O1—K5—O52vi | 95.53 (13) | O63—S6—O61 | 108.6 (4) |
O13ii—K5—O52vi | 102.98 (12) | O64—S6—O61 | 108.7 (5) |
O31i—K5—O52vi | 141.35 (13) | O62—S6—K6A | 58.7 (4) |
O51vi—K5—O52vi | 47.64 (11) | O63—S6—K6A | 128.8 (3) |
O63vi—K5—O52vi | 121.64 (13) | O64—S6—K6A | 52.0 (3) |
O64vi—K5—O52vi | 138.72 (17) | O61—S6—K6A | 122.1 (3) |
O43vi—K5—O52vi | 54.39 (8) | O62—S6—K6Bv | 127.8 (4) |
O1—K5—S6vi | 102.25 (12) | O63—S6—K6Bv | 50.7 (2) |
O13ii—K5—S6vi | 90.94 (11) | O64—S6—K6Bv | 121.6 (3) |
O31i—K5—S6vi | 85.65 (11) | O61—S6—K6Bv | 57.9 (3) |
O51vi—K5—S6vi | 103.50 (11) | K6A—S6—K6Bv | 173.54 (11) |
O63vi—K5—S6vi | 23.82 (12) | O62—S6—K5iv | 125.7 (3) |
O64vi—K5—S6vi | 24.25 (12) | O63—S6—K5iv | 52.2 (2) |
O43vi—K5—S6vi | 82.30 (9) | O64—S6—K5iv | 55.8 (3) |
O52vi—K5—S6vi | 132.84 (10) | O61—S6—K5iv | 127.4 (3) |
O1—K5—S5vi | 79.17 (10) | K6A—S6—K5iv | 88.95 (6) |
O13ii—K5—S5vi | 127.37 (10) | K6Bv—S6—K5iv | 86.57 (8) |
O31i—K5—S5vi | 143.25 (12) | S6—O61—K4v | 148.2 (4) |
O51vi—K5—S5vi | 22.47 (8) | S6—O61—K6Bv | 96.5 (3) |
O63vi—K5—S5vi | 100.47 (11) | K4v—O61—K6Bv | 93.11 (18) |
O64vi—K5—S5vi | 135.51 (13) | S6—O62—K1 | 146.8 (5) |
O43vi—K5—S5vi | 58.26 (8) | S6—O62—K6A | 96.9 (4) |
O52vi—K5—S5vi | 25.22 (7) | K1—O62—K6A | 100.1 (2) |
S6vi—K5—S5vi | 118.18 (7) | S6—O63—K2 | 138.1 (4) |
O1—K5—S1ii | 124.90 (12) | S6—O63—K6Bv | 105.4 (3) |
O13ii—K5—S1ii | 19.66 (9) | K2—O63—K6Bv | 99.52 (19) |
O31i—K5—S1ii | 70.50 (9) | S6—O63—K5iv | 104.0 (3) |
O51vi—K5—S1ii | 141.93 (10) | K2—O63—K5iv | 94.34 (17) |
O63vi—K5—S1ii | 132.72 (12) | K6Bv—O63—K5iv | 116.0 (3) |
O64vi—K5—S1ii | 84.89 (12) | S6—O64—K3 | 143.9 (4) |
O43vi—K5—S1ii | 96.51 (9) | S6—O64—K6A | 103.9 (3) |
O52vi—K5—S1ii | 94.86 (8) | K3—O64—K6A | 95.37 (19) |
S6vi—K5—S1ii | 109.13 (7) | S6—O64—K5iv | 100.0 (3) |
S5vi—K5—S1ii | 119.99 (5) | K3—O64—K5iv | 98.4 (2) |
O1—K5—K2vi | 75.88 (11) | K6A—O64—K5iv | 116.1 (3) |
Symmetry codes: (i) x, y, z+1; (ii) −x+2, −y, −z+1; (iii) −x+1, −y, −z+1; (iv) x−1/2, −y+1/2, z−1/2; (v) x−1/2, −y+1/2, z+1/2; (vi) x+1/2, −y+1/2, z+1/2; (vii) −x+3/2, y+1/2, −z+1/2; (viii) x+1/2, −y+1/2, z−1/2; (ix) x+1, y, z; (x) −x+3/2, y−1/2, −z+1/2; (xi) x, y, z−1; (xii) x−1, y, z. |
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