Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805011049/wm6067sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805011049/wm6067Isup2.hkl |
Data collection: SMART (Bruker,2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2003); program(s) used to refine structure: SHELXTL (Sheldrick, 2003); molecular graphics: XP in SHELXTL; software used to prepare material for publication: SHELXTL.
Ce4[Si2O7]2 | Dx = 5.215 Mg m−3 |
Mr = 896.84 | Mo Kα radiation, λ = 0.71073 Å |
Tetragonal, P41 | Cell parameters from 2729 reflections |
Hall symbol: P 4w | θ = 3.0–28.9° |
a = 6.7964 (3) Å | µ = 16.14 mm−1 |
c = 24.7282 (14) Å | T = 153 K |
V = 1142.22 (10) Å3 | Block, green |
Z = 4 | 0.10 × 0.04 × 0.04 mm |
F(000) = 1600 |
Bruker SMART 1000 CCD area-detector diffractometer | 2729 independent reflections |
Radiation source: fine-focus sealed tube | 2637 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.034 |
ω scans | θmax = 28.9°, θmin = 3.0° |
Absorption correction: numerical face-indexed using SHELXTL (Sheldrick, 2003) | h = −9→9 |
Tmin = 0.482, Tmax = 0.741 | k = −8→9 |
10648 measured reflections | l = −31→31 |
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)] = 0.024 | w = 1/[σ2(Fo2) + (0.028P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.055 | (Δ/σ)max = 0.001 |
S = 1.15 | Δρmax = 2.40 e Å−3 |
2729 reflections | Δρmin = −1.19 e Å−3 |
200 parameters | Absolute structure: Flack (1983), with 1284 Friedel pairs |
1 restraint | Absolute structure parameter: 0.522 (19) |
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. |
x | y | z | Uiso*/Ueq | ||
Ce1 | 0.11721 (6) | 0.23463 (6) | 0.125617 (17) | 0.00974 (10) | |
Ce2 | 0.16750 (6) | 0.51956 (6) | 0.367822 (16) | 0.00966 (9) | |
Ce3 | 0.33539 (6) | 0.08110 (6) | 0.265631 (17) | 0.00948 (9) | |
Ce4 | 0.69879 (6) | 0.23761 (6) | 0.015776 (17) | 0.01020 (10) | |
Si1 | 0.2332 (3) | 0.1505 (3) | 0.00002 (9) | 0.0085 (4) | |
Si2 | 0.2943 (3) | 0.0053 (3) | 0.39499 (8) | 0.0089 (4) | |
Si3 | 0.3784 (3) | 0.2598 (3) | 0.49333 (9) | 0.0086 (4) | |
Si4 | 0.5945 (3) | 0.3035 (3) | 0.15184 (8) | 0.0081 (4) | |
O1 | 0.0404 (8) | 0.1533 (8) | 0.2183 (2) | 0.0118 (11) | |
O2 | 0.0397 (8) | 0.4561 (8) | 0.5985 (2) | 0.0127 (11) | |
O3 | 0.0553 (8) | 0.2839 (8) | 0.0247 (2) | 0.0092 (11) | |
O4 | 0.1212 (8) | 0.5662 (8) | 0.1910 (2) | 0.0104 (11) | |
O5 | 0.1330 (7) | 0.1502 (8) | 0.3675 (2) | 0.0113 (11) | |
O6 | 0.1865 (8) | 0.2084 (8) | 0.6723 (2) | 0.0109 (11) | |
O7 | 0.2369 (8) | 0.4407 (8) | 0.4736 (2) | 0.0118 (11) | |
O8 | 0.2431 (8) | 0.1254 (8) | 0.5343 (2) | 0.0107 (11) | |
O9 | 0.3276 (8) | 0.4292 (8) | 0.2756 (2) | 0.0089 (11) | |
O10 | 0.3826 (8) | 0.1088 (8) | 0.0507 (2) | 0.0124 (11) | |
O11 | 0.4286 (8) | 0.1389 (8) | 0.1711 (2) | 0.0109 (11) | |
O12 | 0.4805 (8) | 0.4848 (8) | 0.1248 (2) | 0.0125 (11) | |
O13 | 0.7159 (8) | 0.3708 (8) | 0.2080 (2) | 0.0119 (11) | |
O14 | 0.7487 (7) | 0.1845 (8) | 0.1132 (2) | 0.0106 (11) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ce1 | 0.0097 (2) | 0.0101 (2) | 0.0094 (2) | 0.00114 (15) | −0.00046 (15) | 0.00082 (17) |
Ce2 | 0.0095 (2) | 0.0096 (2) | 0.0099 (2) | −0.00032 (16) | 0.00005 (16) | 0.00008 (17) |
Ce3 | 0.0098 (2) | 0.0096 (2) | 0.0090 (2) | 0.00112 (16) | −0.00015 (16) | 0.00028 (16) |
Ce4 | 0.0092 (2) | 0.0110 (2) | 0.0104 (2) | −0.00110 (16) | −0.00047 (17) | 0.00198 (17) |
Si1 | 0.0096 (10) | 0.0071 (10) | 0.0090 (10) | −0.0003 (8) | 0.0000 (7) | −0.0008 (7) |
Si2 | 0.0097 (10) | 0.0100 (10) | 0.0070 (10) | 0.0003 (8) | 0.0009 (8) | 0.0006 (8) |
Si3 | 0.0092 (10) | 0.0083 (10) | 0.0082 (10) | −0.0006 (8) | 0.0004 (8) | −0.0015 (8) |
Si4 | 0.0064 (10) | 0.0085 (10) | 0.0094 (10) | −0.0004 (8) | −0.0005 (8) | −0.0021 (8) |
O1 | 0.019 (3) | 0.005 (3) | 0.011 (3) | −0.001 (2) | −0.002 (2) | 0.001 (2) |
O2 | 0.009 (3) | 0.011 (3) | 0.018 (3) | −0.003 (2) | 0.002 (2) | −0.002 (2) |
O3 | 0.011 (3) | 0.007 (3) | 0.010 (3) | 0.003 (2) | −0.001 (2) | −0.003 (2) |
O4 | 0.011 (3) | 0.007 (2) | 0.013 (3) | −0.003 (2) | −0.002 (2) | 0.002 (2) |
O5 | 0.007 (2) | 0.015 (3) | 0.012 (3) | 0.000 (2) | −0.003 (2) | 0.000 (2) |
O6 | 0.010 (3) | 0.010 (3) | 0.012 (3) | −0.002 (2) | 0.000 (2) | −0.001 (2) |
O7 | 0.013 (3) | 0.008 (2) | 0.015 (3) | −0.005 (2) | 0.002 (2) | 0.001 (2) |
O8 | 0.011 (3) | 0.011 (3) | 0.010 (3) | −0.001 (2) | −0.001 (2) | 0.003 (2) |
O9 | 0.012 (3) | 0.006 (2) | 0.008 (3) | −0.005 (2) | 0.000 (2) | −0.003 (2) |
O10 | 0.009 (3) | 0.013 (3) | 0.015 (3) | −0.003 (2) | 0.002 (2) | 0.000 (2) |
O11 | 0.012 (3) | 0.012 (3) | 0.009 (3) | −0.002 (2) | 0.000 (2) | −0.005 (2) |
O12 | 0.015 (3) | 0.016 (3) | 0.006 (2) | 0.008 (2) | −0.005 (2) | −0.003 (2) |
O13 | 0.012 (3) | 0.014 (3) | 0.010 (3) | −0.001 (2) | −0.002 (2) | −0.001 (2) |
O14 | 0.008 (3) | 0.017 (3) | 0.007 (3) | −0.001 (2) | 0.001 (2) | −0.003 (2) |
Ce1—O1 | 2.414 (5) | Si1—O3 | 1.630 (5) |
Ce1—O2i | 2.450 (6) | Si1—O10 | 1.638 (6) |
Ce1—O11 | 2.483 (6) | Si1—O13iv | 1.667 (6) |
Ce1—O5ii | 2.517 (5) | Si1—Ce3ii | 3.482 (2) |
Ce1—O14iii | 2.546 (5) | Si2—O6ii | 1.581 (6) |
Ce1—O3 | 2.553 (5) | Si2—O2ii | 1.619 (6) |
Ce1—O10 | 2.723 (5) | Si2—O5 | 1.622 (6) |
Ce1—O4 | 2.774 (5) | Si2—O4v | 1.678 (6) |
Ce1—Si1 | 3.255 (2) | Si2—Ce1v | 3.326 (2) |
Ce1—Si2iv | 3.326 (2) | Si2—Ce4xiv | 3.413 (2) |
Ce1—Si4 | 3.341 (2) | Si2—Ce2xv | 3.477 (2) |
Ce1—Ce2ii | 3.8710 (6) | Si3—O9v | 1.599 (6) |
Ce2—O12v | 2.384 (6) | Si3—O7 | 1.636 (6) |
Ce2—O6iv | 2.426 (5) | Si3—O4v | 1.644 (6) |
Ce2—O5 | 2.521 (6) | Si3—O8 | 1.645 (6) |
Ce2—O11vi | 2.541 (5) | Si3—Ce3vi | 3.213 (2) |
Ce2—O9 | 2.601 (5) | Si3—Ce2v | 3.217 (2) |
Ce2—O8iv | 2.637 (5) | Si3—Ce4xiv | 3.466 (2) |
Ce2—O10vi | 2.673 (5) | Si4—O12 | 1.602 (6) |
Ce2—O7 | 2.711 (6) | Si4—O14 | 1.632 (6) |
Ce2—O14vi | 2.857 (5) | Si4—O11 | 1.658 (6) |
Ce2—Si3iv | 3.217 (2) | Si4—O13 | 1.679 (6) |
Ce2—Si4vi | 3.348 (2) | Si4—Ce2ii | 3.348 (2) |
Ce2—Si2vii | 3.477 (2) | O1—Si1vi | 1.611 (6) |
Ce3—O2ii | 2.356 (6) | O2—Si2vi | 1.619 (6) |
Ce3—O1 | 2.373 (6) | O2—Ce3vi | 2.356 (6) |
Ce3—O9 | 2.379 (5) | O2—Ce1xvi | 2.450 (6) |
Ce3—O11 | 2.453 (5) | O3—Ce4iii | 2.453 (5) |
Ce3—O7ii | 2.503 (5) | O3—Ce3iv | 2.603 (5) |
Ce3—O3v | 2.603 (5) | O4—Si3iv | 1.644 (6) |
Ce3—O8ii | 2.666 (6) | O4—Si2iv | 1.678 (6) |
Ce3—O5 | 2.909 (6) | O5—Ce1vi | 2.517 (5) |
Ce3—Si3ii | 3.213 (2) | O6—Si2vi | 1.581 (6) |
Ce3—Si2 | 3.252 (2) | O6—Ce4xvii | 2.420 (5) |
Ce3—Si1vi | 3.482 (2) | O6—Ce2v | 2.426 (5) |
Ce3—Ce4viii | 3.8953 (6) | O7—Ce4xviii | 2.461 (5) |
Ce4—O6ix | 2.420 (5) | O7—Ce3vi | 2.503 (5) |
Ce4—O3x | 2.453 (5) | O8—Ce4xiv | 2.540 (6) |
Ce4—O14 | 2.459 (6) | O8—Ce2v | 2.637 (5) |
Ce4—O7xi | 2.461 (5) | O8—Ce3vi | 2.666 (6) |
Ce4—O10 | 2.476 (5) | O9—Si3iv | 1.599 (6) |
Ce4—O8xii | 2.540 (6) | O10—Ce2ii | 2.673 (5) |
Ce4—O13iv | 2.667 (5) | O11—Ce2ii | 2.541 (5) |
Ce4—Si1 | 3.243 (2) | O12—Ce2iv | 2.384 (6) |
Ce4—Si2xii | 3.413 (2) | O13—Si1v | 1.667 (6) |
Ce4—Si3xii | 3.466 (2) | O13—Ce4v | 2.667 (5) |
Ce4—Si4 | 3.467 (2) | O14—Ce1x | 2.546 (5) |
Ce4—Ce3xiii | 3.8953 (6) | O14—Ce2ii | 2.857 (5) |
Si1—O1ii | 1.611 (6) | ||
O1—Ce1—O2i | 111.20 (19) | O3x—Ce4—O10 | 150.58 (18) |
O1—Ce1—O11 | 72.20 (19) | O14—Ce4—O10 | 74.08 (17) |
O2i—Ce1—O11 | 136.00 (17) | O7xi—Ce4—O10 | 128.02 (18) |
O1—Ce1—O5ii | 82.38 (18) | O6ix—Ce4—O8xii | 89.55 (17) |
O2i—Ce1—O5ii | 150.32 (18) | O3x—Ce4—O8xii | 87.42 (17) |
O11—Ce1—O5ii | 72.54 (17) | O14—Ce4—O8xii | 70.10 (17) |
O1—Ce1—O14iii | 82.61 (19) | O7xi—Ce4—O8xii | 155.70 (19) |
O2i—Ce1—O14iii | 69.74 (17) | O10—Ce4—O8xii | 74.26 (18) |
O11—Ce1—O14iii | 149.08 (19) | O6ix—Ce4—O13iv | 73.95 (18) |
O5ii—Ce1—O14iii | 86.86 (17) | O3x—Ce4—O13iv | 149.17 (17) |
O1—Ce1—O3 | 157.26 (18) | O14—Ce4—O13iv | 131.10 (17) |
O2i—Ce1—O3 | 63.16 (18) | O7xi—Ce4—O13iv | 79.41 (17) |
O11—Ce1—O3 | 128.15 (17) | O10—Ce4—O13iv | 60.22 (17) |
O5ii—Ce1—O3 | 93.87 (17) | O8xii—Ce4—O13iv | 109.97 (17) |
O14iii—Ce1—O3 | 74.77 (17) | O6ix—Ce4—Si1 | 96.52 (14) |
O1—Ce1—O10 | 135.79 (18) | O3x—Ce4—Si1 | 176.37 (13) |
O2i—Ce1—O10 | 111.83 (17) | O14—Ce4—Si1 | 103.03 (12) |
O11—Ce1—O10 | 70.20 (17) | O7xi—Ce4—Si1 | 106.53 (13) |
O5ii—Ce1—O10 | 64.86 (17) | O10—Ce4—Si1 | 29.60 (13) |
O14iii—Ce1—O10 | 121.84 (17) | O8xii—Ce4—Si1 | 89.76 (13) |
O3—Ce1—O10 | 59.05 (17) | O13iv—Ce4—Si1 | 30.85 (12) |
O1—Ce1—O4 | 68.58 (16) | O6ix—Ce4—Si2xii | 24.71 (14) |
O2i—Ce1—O4 | 57.77 (18) | O3x—Ce4—Si2xii | 97.30 (12) |
O11—Ce1—O4 | 86.58 (16) | O14—Ce4—Si2xii | 141.66 (13) |
O5ii—Ce1—O4 | 148.43 (18) | O7xi—Ce4—Si2xii | 93.23 (14) |
O14iii—Ce1—O4 | 100.88 (16) | O10—Ce4—Si2xii | 98.43 (13) |
O3—Ce1—O4 | 117.70 (16) | O8xii—Ce4—Si2xii | 71.67 (12) |
O10—Ce1—O4 | 130.17 (15) | O13iv—Ce4—Si2xii | 66.43 (12) |
O1—Ce1—Si1 | 156.61 (13) | Si1—Ce4—Si2xii | 79.63 (5) |
O2i—Ce1—Si1 | 89.74 (14) | O6ix—Ce4—Si3xii | 75.33 (14) |
O11—Ce1—Si1 | 100.36 (13) | O3x—Ce4—Si3xii | 106.80 (12) |
O5ii—Ce1—Si1 | 74.23 (13) | O14—Ce4—Si3xii | 91.99 (13) |
O14iii—Ce1—Si1 | 95.71 (13) | O7xi—Ce4—Si3xii | 145.63 (14) |
O3—Ce1—Si1 | 29.57 (12) | O10—Ce4—Si3xii | 65.15 (13) |
O10—Ce1—Si1 | 30.17 (12) | O8xii—Ce4—Si3xii | 26.49 (13) |
O4—Ce1—Si1 | 134.16 (12) | O13iv—Ce4—Si3xii | 84.45 (12) |
O1—Ce1—Si2iv | 91.96 (13) | Si1—Ce4—Si3xii | 69.81 (5) |
O2i—Ce1—Si2iv | 27.62 (13) | Si2xii—Ce4—Si3xii | 52.42 (5) |
O11—Ce1—Si2iv | 112.45 (13) | O6ix—Ce4—Si4 | 176.55 (14) |
O5ii—Ce1—Si2iv | 171.01 (13) | O3x—Ce4—Si4 | 95.63 (13) |
O14iii—Ce1—Si2iv | 85.48 (13) | O14—Ce4—Si4 | 25.40 (13) |
O3—Ce1—Si2iv | 88.67 (12) | O7xi—Ce4—Si4 | 109.44 (14) |
O10—Ce1—Si2iv | 123.49 (12) | O10—Ce4—Si4 | 61.93 (13) |
O4—Ce1—Si2iv | 30.24 (12) | O8xii—Ce4—Si4 | 88.99 (12) |
Si1—Ce1—Si2iv | 111.23 (5) | O13iv—Ce4—Si4 | 109.49 (12) |
O1—Ce1—Si4 | 93.31 (14) | Si1—Ce4—Si4 | 86.60 (5) |
O2i—Ce1—Si4 | 110.82 (13) | Si2xii—Ce4—Si4 | 156.12 (5) |
O11—Ce1—Si4 | 28.52 (13) | Si3xii—Ce4—Si4 | 104.50 (5) |
O5ii—Ce1—Si4 | 93.89 (13) | O6ix—Ce4—Ce3xiii | 86.10 (13) |
O14iii—Ce1—Si4 | 175.72 (13) | O3x—Ce4—Ce3xiii | 41.04 (12) |
O3—Ce1—Si4 | 109.35 (12) | O14—Ce4—Ce3xiii | 91.04 (12) |
O10—Ce1—Si4 | 62.14 (12) | O7xi—Ce4—Ce3xiii | 38.69 (13) |
O4—Ce1—Si4 | 76.33 (11) | O10—Ce4—Ce3xiii | 147.41 (13) |
Si1—Ce1—Si4 | 88.54 (6) | O8xii—Ce4—Ce3xiii | 128.33 (12) |
Si2iv—Ce1—Si4 | 93.40 (5) | O13iv—Ce4—Ce3xiii | 117.96 (12) |
O1—Ce1—Ce2ii | 92.20 (14) | Si1—Ce4—Ce3xiii | 141.89 (4) |
O2i—Ce1—Ce2ii | 154.09 (13) | Si2xii—Ce4—Ce3xiii | 110.51 (4) |
O11—Ce1—Ce2ii | 40.15 (12) | Si3xii—Ce4—Ce3xiii | 145.85 (4) |
O5ii—Ce1—Ce2ii | 39.84 (12) | Si4—Ce4—Ce3xiii | 92.35 (4) |
O14iii—Ce1—Ce2ii | 126.47 (12) | O1ii—Si1—O3 | 112.4 (3) |
O3—Ce1—Ce2ii | 99.23 (11) | O1ii—Si1—O10 | 116.3 (3) |
O10—Ce1—Ce2ii | 43.65 (12) | O3—Si1—O10 | 105.6 (3) |
O4—Ce1—Ce2ii | 126.56 (11) | O1ii—Si1—O13iv | 108.9 (3) |
Si1—Ce1—Ce2ii | 69.96 (4) | O3—Si1—O13iv | 110.2 (3) |
Si2iv—Ce1—Ce2ii | 148.05 (4) | O10—Si1—O13iv | 102.9 (3) |
Si4—Ce1—Ce2ii | 54.73 (4) | O1ii—Si1—Ce4 | 122.3 (2) |
O12v—Ce2—O6iv | 86.43 (18) | O3—Si1—Ce4 | 125.3 (2) |
O12v—Ce2—O5 | 88.93 (17) | O10—Si1—Ce4 | 48.3 (2) |
O6iv—Ce2—O5 | 146.31 (18) | O13iv—Si1—Ce4 | 55.1 (2) |
O12v—Ce2—O11vi | 138.36 (18) | O1ii—Si1—Ce1 | 121.7 (2) |
O6iv—Ce2—O11vi | 90.34 (18) | O3—Si1—Ce1 | 50.6 (2) |
O5—Ce2—O11vi | 71.52 (17) | O10—Si1—Ce1 | 56.6 (2) |
O12v—Ce2—O9 | 67.85 (17) | O13iv—Si1—Ce1 | 129.4 (2) |
O6iv—Ce2—O9 | 129.34 (18) | Ce4—Si1—Ce1 | 95.14 (6) |
O5—Ce2—O9 | 78.55 (17) | O3—Si1—Ce3ii | 105.4 (2) |
O11vi—Ce2—O9 | 137.77 (17) | O10—Si1—Ce3ii | 86.3 (2) |
O12v—Ce2—O8iv | 103.47 (18) | O13iv—Si1—Ce3ii | 138.8 (2) |
O6iv—Ce2—O8iv | 86.80 (18) | Ce4—Si1—Ce3ii | 116.72 (6) |
O5—Ce2—O8iv | 126.64 (18) | Ce1—Si1—Ce3ii | 89.37 (5) |
O11vi—Ce2—O8iv | 117.79 (17) | O6ii—Si2—O2ii | 113.5 (3) |
O9—Ce2—O8iv | 60.17 (17) | O6ii—Si2—O5 | 115.5 (3) |
O12v—Ce2—O10vi | 134.65 (17) | O2ii—Si2—O5 | 106.1 (3) |
O6iv—Ce2—O10vi | 135.40 (18) | O6ii—Si2—O4v | 107.8 (3) |
O5—Ce2—O10vi | 65.56 (16) | O2ii—Si2—O4v | 100.7 (3) |
O11vi—Ce2—O10vi | 70.20 (18) | O5—Si2—O4v | 112.4 (3) |
O9—Ce2—O10vi | 70.58 (16) | O6ii—Si2—Ce3 | 125.7 (2) |
O8iv—Ce2—O10vi | 69.54 (17) | O5—Si2—Ce3 | 63.3 (2) |
O12v—Ce2—O7 | 74.64 (17) | O4v—Si2—Ce3 | 123.0 (2) |
O6iv—Ce2—O7 | 66.84 (17) | O6ii—Si2—Ce1v | 127.3 (2) |
O5—Ce2—O7 | 79.75 (17) | O5—Si2—Ce1v | 116.8 (2) |
O11vi—Ce2—O7 | 66.06 (17) | O4v—Si2—Ce1v | 56.4 (2) |
O9—Ce2—O7 | 136.61 (18) | Ce3—Si2—Ce1v | 74.89 (5) |
O8iv—Ce2—O7 | 153.61 (16) | O2ii—Si2—Ce4xiv | 121.3 (2) |
O10vi—Ce2—O7 | 130.70 (16) | O5—Si2—Ce4xiv | 132.0 (2) |
O12v—Ce2—O14vi | 153.34 (17) | O4v—Si2—Ce4xiv | 68.0 (2) |
O6iv—Ce2—O14vi | 70.69 (16) | Ce3—Si2—Ce4xiv | 159.43 (7) |
O5—Ce2—O14vi | 117.70 (16) | Ce1v—Si2—Ce4xiv | 102.91 (6) |
O11vi—Ce2—O14vi | 57.80 (16) | O2ii—Si2—Ce2xv | 81.5 (2) |
O9—Ce2—O14vi | 116.35 (16) | O5—Si2—Ce2xv | 109.2 (2) |
O8iv—Ce2—O14vi | 62.88 (16) | O4v—Si2—Ce2xv | 135.8 (2) |
O10vi—Ce2—O14vi | 64.95 (16) | Ce3—Si2—Ce2xv | 88.95 (5) |
O7—Ce2—O14vi | 106.99 (17) | Ce1v—Si2—Ce2xv | 115.33 (6) |
O12v—Ce2—Si3iv | 84.29 (13) | Ce4xiv—Si2—Ce2xv | 73.34 (4) |
O6iv—Ce2—Si3iv | 109.39 (14) | O9v—Si3—O7 | 114.4 (3) |
O5—Ce2—Si3iv | 103.30 (14) | O9v—Si3—O4v | 111.7 (3) |
O11vi—Ce2—Si3iv | 135.11 (13) | O7—Si3—O4v | 109.3 (3) |
O9—Ce2—Si3iv | 29.55 (13) | O9v—Si3—O8 | 108.1 (3) |
O8iv—Ce2—Si3iv | 30.63 (12) | O7—Si3—O8 | 105.8 (3) |
O10vi—Ce2—Si3iv | 67.56 (12) | O4v—Si3—O8 | 107.1 (3) |
O7—Ce2—Si3iv | 158.71 (12) | O9v—Si3—Ce3vi | 131.5 (2) |
O14vi—Ce2—Si3iv | 90.42 (12) | O7—Si3—Ce3vi | 50.16 (19) |
O12v—Ce2—Si4vi | 161.09 (13) | O4v—Si3—Ce3vi | 116.7 (2) |
O6iv—Ce2—Si4vi | 81.06 (14) | O8—Si3—Ce3vi | 55.9 (2) |
O5—Ce2—Si4vi | 93.63 (12) | O9v—Si3—Ce2v | 53.4 (2) |
O11vi—Ce2—Si4vi | 28.75 (13) | O7—Si3—Ce2v | 124.0 (2) |
O9—Ce2—Si4vi | 131.01 (12) | O4v—Si3—Ce2v | 126.3 (2) |
O8iv—Ce2—Si4vi | 90.00 (12) | O8—Si3—Ce2v | 54.78 (19) |
O10vi—Ce2—Si4vi | 62.43 (12) | Ce3vi—Si3—Ce2v | 94.38 (6) |
O7—Ce2—Si4vi | 87.37 (12) | O9v—Si3—Ce4xiv | 109.0 (2) |
O14vi—Ce2—Si4vi | 29.15 (11) | O7—Si3—Ce4xiv | 133.8 (2) |
Si3iv—Ce2—Si4vi | 113.20 (5) | O4v—Si3—Ce4xiv | 66.5 (2) |
O12v—Ce2—Si2vii | 81.15 (14) | Ce3vi—Si3—Ce4xiv | 88.93 (5) |
O6iv—Ce2—Si2vii | 23.44 (13) | Ce2v—Si3—Ce4xiv | 71.89 (4) |
O5—Ce2—Si2vii | 165.65 (13) | O12—Si4—O14 | 116.6 (3) |
O11vi—Ce2—Si2vii | 109.51 (13) | O12—Si4—O11 | 108.0 (3) |
O9—Ce2—Si2vii | 106.85 (12) | O14—Si4—O11 | 105.7 (3) |
O8iv—Ce2—Si2vii | 66.27 (13) | O12—Si4—O13 | 111.9 (3) |
O10vi—Ce2—Si2vii | 128.65 (12) | O14—Si4—O13 | 107.7 (3) |
O7—Ce2—Si2vii | 87.60 (12) | O11—Si4—O13 | 106.3 (3) |
O14vi—Ce2—Si2vii | 72.41 (12) | O12—Si4—Ce1 | 63.7 (2) |
Si3iv—Ce2—Si2vii | 86.10 (5) | O14—Si4—Ce1 | 116.1 (2) |
Si4vi—Ce2—Si2vii | 92.52 (5) | O11—Si4—Ce1 | 45.7 (2) |
O2ii—Ce3—O1 | 142.72 (19) | O13—Si4—Ce1 | 132.5 (2) |
O2ii—Ce3—O9 | 105.33 (18) | O12—Si4—Ce2ii | 123.9 (2) |
O1—Ce3—O9 | 80.01 (18) | O14—Si4—Ce2ii | 58.5 (2) |
O2ii—Ce3—O11 | 142.66 (19) | O11—Si4—Ce2ii | 47.47 (19) |
O1—Ce3—O11 | 73.43 (19) | O13—Si4—Ce2ii | 122.9 (2) |
O9—Ce3—O11 | 86.83 (18) | Ce1—Si4—Ce2ii | 70.71 (4) |
O2ii—Ce3—O7ii | 87.76 (18) | O12—Si4—Ce4 | 78.1 (2) |
O1—Ce3—O7ii | 102.43 (18) | O11—Si4—Ce4 | 109.3 (2) |
O9—Ce3—O7ii | 155.22 (19) | O13—Si4—Ce4 | 137.5 (2) |
O11—Ce3—O7ii | 70.66 (18) | Ce1—Si4—Ce4 | 89.55 (5) |
O2ii—Ce3—O3v | 63.60 (17) | Ce2ii—Si4—Ce4 | 70.36 (4) |
O1—Ce3—O3v | 153.66 (18) | Si1vi—O1—Ce3 | 120.6 (3) |
O9—Ce3—O3v | 94.60 (17) | Si1vi—O1—Ce1 | 124.0 (3) |
O11—Ce3—O3v | 80.57 (17) | Ce3—O1—Ce1 | 109.5 (2) |
O7ii—Ce3—O3v | 72.14 (17) | Si2vi—O2—Ce3vi | 108.4 (3) |
O2ii—Ce3—O8ii | 75.40 (18) | Si2vi—O2—Ce1xvi | 107.8 (3) |
O1—Ce3—O8ii | 78.69 (17) | Ce3vi—O2—Ce1xvi | 112.6 (2) |
O9—Ce3—O8ii | 142.40 (17) | Si1—O3—Ce4iii | 128.9 (3) |
O11—Ce3—O8ii | 115.81 (17) | Si1—O3—Ce1 | 99.8 (2) |
O7ii—Ce3—O8ii | 60.73 (18) | Ce4iii—O3—Ce1 | 103.53 (19) |
O3v—Ce3—O8ii | 117.50 (16) | Si1—O3—Ce3iv | 118.1 (3) |
O2ii—Ce3—O5 | 57.79 (17) | Ce4iii—O3—Ce3iv | 100.74 (18) |
O1—Ce3—O5 | 89.70 (17) | Ce1—O3—Ce3iv | 101.74 (18) |
O9—Ce3—O5 | 74.91 (16) | Si3iv—O4—Si2iv | 132.3 (4) |
O11—Ce3—O5 | 157.15 (17) | Si3iv—O4—Ce1 | 130.6 (3) |
O7ii—Ce3—O5 | 129.37 (17) | Si2iv—O4—Ce1 | 93.4 (2) |
O3v—Ce3—O5 | 113.96 (16) | Si2—O5—Ce1vi | 125.7 (3) |
O8ii—Ce3—O5 | 74.37 (16) | Si2—O5—Ce2 | 122.7 (3) |
O2ii—Ce3—Si3ii | 82.32 (14) | Ce1vi—O5—Ce2 | 100.41 (18) |
O1—Ce3—Si3ii | 88.93 (13) | Si2—O5—Ce3 | 86.9 (2) |
O9—Ce3—Si3ii | 168.76 (13) | Ce1vi—O5—Ce3 | 121.6 (2) |
O11—Ce3—Si3ii | 91.92 (13) | Ce2—O5—Ce3 | 96.84 (18) |
O7ii—Ce3—Si3ii | 30.12 (13) | Si2vi—O6—Ce4xvii | 115.5 (3) |
O3v—Ce3—Si3ii | 96.21 (12) | Si2vi—O6—Ce2v | 118.9 (3) |
O8ii—Ce3—Si3ii | 30.73 (12) | Ce4xvii—O6—Ce2v | 116.3 (2) |
O5—Ce3—Si3ii | 103.30 (12) | Si3—O7—Ce4xviii | 115.9 (3) |
O2ii—Ce3—Si2 | 28.20 (14) | Si3—O7—Ce3vi | 99.7 (2) |
O1—Ce3—Si2 | 116.46 (14) | Ce4xviii—O7—Ce3vi | 103.4 (2) |
O9—Ce3—Si2 | 93.10 (13) | Si3—O7—Ce2 | 122.6 (3) |
O11—Ce3—Si2 | 169.96 (13) | Ce4xviii—O7—Ce2 | 105.31 (19) |
O7ii—Ce3—Si2 | 107.23 (14) | Ce3vi—O7—Ce2 | 107.9 (2) |
O3v—Ce3—Si2 | 89.43 (12) | Si3—O8—Ce4xiv | 110.0 (3) |
O8ii—Ce3—Si2 | 69.70 (12) | Si3—O8—Ce2v | 94.6 (2) |
O5—Ce3—Si2 | 29.87 (11) | Ce4xiv—O8—Ce2v | 98.72 (18) |
Si3ii—Ce3—Si2 | 90.07 (5) | Si3—O8—Ce3vi | 93.3 (2) |
O2ii—Ce3—Si1vi | 122.02 (14) | Ce4xiv—O8—Ce3vi | 128.1 (2) |
O1—Ce3—Si1vi | 23.46 (14) | Ce2v—O8—Ce3vi | 125.7 (2) |
O9—Ce3—Si1vi | 72.25 (13) | Si3iv—O9—Ce3 | 140.2 (3) |
O11—Ce3—Si1vi | 95.26 (13) | Si3iv—O9—Ce2 | 97.1 (2) |
O7ii—Ce3—Si1vi | 118.79 (13) | Ce3—O9—Ce2 | 109.54 (19) |
O3v—Ce3—Si1vi | 166.49 (12) | Si1—O10—Ce4 | 102.1 (3) |
O8ii—Ce3—Si1vi | 75.92 (12) | Si1—O10—Ce2ii | 144.3 (3) |
O5—Ce3—Si1vi | 66.40 (11) | Ce4—O10—Ce2ii | 99.37 (18) |
Si3ii—Ce3—Si1vi | 96.77 (5) | Si1—O10—Ce1 | 93.2 (2) |
Si2—Ce3—Si1vi | 94.28 (5) | Ce4—O10—Ce1 | 134.5 (2) |
O2ii—Ce3—Ce4viii | 60.48 (13) | Ce2ii—O10—Ce1 | 91.68 (17) |
O1—Ce3—Ce4viii | 140.16 (13) | Si4—O11—Ce3 | 123.9 (3) |
O9—Ce3—Ce4viii | 132.82 (13) | Si4—O11—Ce1 | 105.8 (3) |
O11—Ce3—Ce4viii | 85.14 (13) | Ce3—O11—Ce1 | 104.7 (2) |
O7ii—Ce3—Ce4viii | 37.93 (12) | Si4—O11—Ce2ii | 103.8 (3) |
O3v—Ce3—Ce4viii | 38.22 (12) | Ce3—O11—Ce2ii | 115.2 (2) |
O8ii—Ce3—Ce4viii | 81.22 (12) | Ce1—O11—Ce2ii | 100.78 (18) |
O5—Ce3—Ce4viii | 117.33 (10) | Si4—O12—Ce2iv | 137.7 (3) |
Si3ii—Ce3—Ce4viii | 58.05 (4) | Si1v—O13—Si4 | 129.1 (3) |
Si2—Ce3—Ce4viii | 87.56 (4) | Si1v—O13—Ce4v | 94.0 (2) |
Si1vi—Ce3—Ce4viii | 154.79 (4) | Si4—O13—Ce4v | 136.8 (3) |
O6ix—Ce4—O3x | 81.19 (18) | Si4—O14—Ce4 | 114.4 (3) |
O6ix—Ce4—O14 | 151.42 (17) | Si4—O14—Ce1x | 119.6 (3) |
O3x—Ce4—O14 | 78.14 (17) | Ce4—O14—Ce1x | 103.55 (19) |
O6ix—Ce4—O7xi | 71.13 (19) | Si4—O14—Ce2ii | 92.4 (2) |
O3x—Ce4—O7xi | 75.46 (18) | Ce4—O14—Ce2ii | 94.99 (17) |
O14—Ce4—O7xi | 121.39 (18) | Ce1x—O14—Ce2ii | 130.0 (2) |
O6ix—Ce4—O10 | 120.60 (19) |
Symmetry codes: (i) −x, −y+1, z−1/2; (ii) y, −x, z−1/4; (iii) x−1, y, z; (iv) y, −x+1, z−1/4; (v) −y+1, x, z+1/4; (vi) −y, x, z+1/4; (vii) x, y+1, z; (viii) −y+1, x−1, z+1/4; (ix) −y+1, x, z−3/4; (x) x+1, y, z; (xi) −x+1, −y+1, z−1/2; (xii) −x+1, −y, z−1/2; (xiii) y+1, −x+1, z−1/4; (xiv) −x+1, −y, z+1/2; (xv) x, y−1, z; (xvi) −x, −y+1, z+1/2; (xvii) y, −x+1, z+3/4; (xviii) −x+1, −y+1, z+1/2. |