Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680701210X/br2032sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680701210X/br2032Isup2.hkl |
Data collection: CAD-4-PC Manual (Enraf–Nonius ,1993); cell refinement: CAD-4-PC Manual; data reduction: CAD-4-PC Manual; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2005); software used to prepare material for publication: CIFTAB (Sheldrick, 1997) and SHELXL97.
SrTeO3 | F(000) = 5472 |
Mr = 263.22 | Dx = 4.826 Mg m−3 |
Monoclinic, C2/c | Ag Kα radiation, λ = 0.56086 Å |
Hall symbol: -C 2yc | Cell parameters from 24 reflections |
a = 28.206 (6) Å | θ = 12.4–14.7° |
b = 5.921 (1) Å | µ = 12.13 mm−1 |
c = 28.528 (6) Å | T = 473 K |
β = 114.16 (3)° | Prism, colourless |
V = 4347.1 (15) Å3 | 0.24 × 0.22 × 0.09 mm |
Z = 48 |
Enraf–Nonius CAD-4 with high-temperature device diffractometer | 1757 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.090 |
β-filter monochromator | θmax = 24.0°, θmin = 2.1° |
ω/2θ scans | h = −36→36 |
Absorption correction: analytical Alcock, 1970 | k = 0→8 |
Tmin = 0.139, Tmax = 0.386 | l = 0→36 |
6803 measured reflections | 3 standard reflections every 60 min |
6672 independent reflections | intensity decay: none |
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)] = 0.039 | w = 1/[σ2(Fo2) + (0.0358P)2] |
wR(F2) = 0.086 | (Δ/σ)max = 0.001 |
S = 0.72 | Δρmax = 2.99 e Å−3 |
6672 reflections | Δρmin = −1.97 e Å−3 |
184 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.000095 (6) |
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 | ||
Te1 | 0.15574 (2) | 0.2512 (2) | 0.42644 (2) | 0.02470 (15) | |
Te2 | 0.41620 (3) | 0.27143 (19) | 0.17278 (3) | 0.02222 (17) | |
Te3 | 0.27695 (2) | 0.2585 (2) | 0.14025 (2) | 0.01944 (14) | |
Te4 | 0.00976 (3) | 0.2660 (2) | 0.11457 (3) | 0.03163 (18) | |
Te5 | 0.39888 (3) | 0.25554 (18) | 0.00100 (2) | 0.02630 (15) | |
Te6 | 0.30293 (3) | 0.2678 (2) | 0.29153 (2) | 0.01769 (15) | |
Sr1 | 0.16327 (3) | 0.2537 (3) | 0.28905 (3) | 0.02105 (17) | |
Sr2 | 0.44114 (4) | 0.2802 (2) | 0.44539 (3) | 0.0223 (2) | |
Sr3 | 0.14637 (4) | 0.2758 (2) | 0.13753 (3) | 0.0289 (2) | |
Sr4 | 0.42967 (3) | 0.2404 (3) | 0.30280 (3) | 0.0239 (2) | |
Sr5 | 0.29752 (3) | 0.2539 (3) | 0.42372 (3) | 0.02285 (18) | |
Sr6 | 0.2500 | 0.2500 | 0.0000 | 0.0299 (3) | |
Sr7 | 0.0000 | 0.2184 (3) | 0.2500 | 0.0256 (4) | |
O11 | 0.1947 (3) | 0.2012 (17) | 0.3885 (3) | 0.044 (2)* | |
O12 | 0.1722 (5) | 0.543 (2) | 0.4450 (4) | 0.065 (3)* | |
O13 | 0.1948 (4) | 0.1051 (16) | 0.4873 (3) | 0.040 (2)* | |
O21 | 0.4073 (4) | 0.4764 (14) | 0.2179 (3) | 0.031 (2)* | |
O22 | 0.4840 (4) | 0.3537 (17) | 0.1869 (3) | 0.045 (2)* | |
O23 | 0.4205 (4) | 0.0166 (17) | 0.2119 (4) | 0.044 (3)* | |
O31 | 0.2278 (3) | 0.3094 (15) | 0.0746 (3) | 0.037 (2)* | |
O32 | 0.2442 (4) | 0.0133 (16) | 0.1555 (4) | 0.040 (2)* | |
O33 | 0.2551 (4) | 0.4745 (16) | 0.1724 (4) | 0.040 (2)* | |
O41 | 0.0555 (4) | 0.4824 (15) | 0.1117 (4) | 0.035 (2)* | |
O42 | 0.0251 (5) | 0.337 (2) | 0.1799 (4) | 0.070 (3)* | |
O43 | 0.0541 (4) | 0.0238 (15) | 0.1243 (3) | 0.030 (2)* | |
O51 | 0.3718 (3) | 0.4512 (14) | −0.0558 (3) | 0.0264 (17)* | |
O52 | 0.3829 (4) | −0.0132 (15) | −0.0347 (3) | 0.035 (2)* | |
O53 | 0.4672 (5) | 0.309 (2) | 0.0082 (4) | 0.077 (4)* | |
O61 | 0.3435 (3) | 0.2248 (15) | 0.3616 (2) | 0.0287 (16)* | |
O62 | 0.3410 (3) | 0.5148 (13) | 0.2862 (3) | 0.0234 (17)* | |
O63 | 0.3394 (4) | 0.0479 (15) | 0.2729 (3) | 0.030 (2)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Te1 | 0.0219 (3) | 0.0287 (4) | 0.0266 (3) | −0.0018 (8) | 0.0132 (2) | −0.0022 (6) |
Te2 | 0.0194 (3) | 0.0236 (4) | 0.0259 (3) | −0.0025 (5) | 0.0116 (2) | −0.0021 (5) |
Te3 | 0.0157 (3) | 0.0187 (3) | 0.0244 (3) | −0.0010 (6) | 0.0088 (2) | −0.0045 (6) |
Te4 | 0.0227 (4) | 0.0223 (4) | 0.0551 (4) | −0.0017 (6) | 0.0212 (3) | −0.0042 (5) |
Te5 | 0.0327 (4) | 0.0253 (4) | 0.0250 (3) | −0.0029 (6) | 0.0159 (3) | 0.0002 (5) |
Te6 | 0.0166 (3) | 0.0175 (4) | 0.0206 (2) | 0.0009 (5) | 0.0094 (2) | −0.0009 (4) |
Sr1 | 0.0276 (4) | 0.0166 (4) | 0.0226 (4) | −0.0016 (8) | 0.0140 (3) | 0.0004 (8) |
Sr2 | 0.0196 (4) | 0.0204 (6) | 0.0299 (4) | 0.0002 (5) | 0.0133 (3) | −0.0014 (5) |
Sr3 | 0.0331 (5) | 0.0269 (6) | 0.0255 (4) | 0.0036 (7) | 0.0109 (4) | 0.0003 (5) |
Sr4 | 0.0234 (4) | 0.0243 (5) | 0.0273 (4) | −0.0043 (8) | 0.0138 (3) | 0.0001 (7) |
Sr5 | 0.0215 (4) | 0.0253 (5) | 0.0244 (4) | 0.0033 (10) | 0.0121 (3) | 0.0028 (8) |
Sr6 | 0.0400 (7) | 0.0292 (8) | 0.0283 (6) | −0.0043 (15) | 0.0220 (5) | −0.0009 (13) |
Sr7 | 0.0284 (7) | 0.0225 (9) | 0.0354 (6) | 0.000 | 0.0227 (5) | 0.000 |
Te1—O12 | 1.813 (12) | Sr3—O43 | 2.887 (10) |
Te1—O13 | 1.846 (9) | Sr3—O63i | 2.907 (9) |
Te1—O11 | 1.855 (9) | Sr3—O32 | 3.023 (11) |
Te2—O23 | 1.850 (10) | Sr3—O33 | 3.047 (11) |
Te2—O22 | 1.850 (10) | Sr3—O52vi | 3.045 (9) |
Te2—O21 | 1.859 (9) | Sr3—O61ii | 3.274 (9) |
Te3—O33 | 1.821 (10) | Sr4—O22iii | 2.425 (10) |
Te3—O31 | 1.843 (8) | Sr4—O43i | 2.563 (9) |
Te3—O32 | 1.866 (10) | Sr4—O63 | 2.594 (10) |
Te4—O42 | 1.783 (11) | Sr4—O21 | 2.640 (9) |
Te4—O41 | 1.844 (10) | Sr4—O42ii | 2.658 (13) |
Te4—O43 | 1.848 (9) | Sr4—O41ii | 2.761 (9) |
Te5—O52 | 1.844 (9) | Sr4—O23 | 2.829 (10) |
Te5—O51 | 1.881 (8) | Sr4—O62 | 2.856 (9) |
Te5—O53 | 1.878 (13) | Sr5—O32i | 2.584 (10) |
Te6—O62 | 1.856 (8) | Sr5—O61 | 2.596 (6) |
Te6—O63 | 1.867 (9) | Sr5—O13vii | 2.597 (9) |
Te6—O61 | 1.869 (6) | Sr5—O51v | 2.603 (9) |
Sr1—O63i | 2.460 (9) | Sr5—O52iv | 2.626 (9) |
Sr1—O21ii | 2.525 (10) | Sr5—O11 | 2.671 (9) |
Sr1—O62ii | 2.534 (8) | Sr5—O31ii | 2.733 (9) |
Sr1—O11 | 2.621 (8) | Sr5—O33ii | 3.020 (10) |
Sr1—O33ii | 2.678 (10) | Sr6—O12ii | 2.440 (12) |
Sr1—O23i | 2.820 (11) | Sr6—O12viii | 2.440 (12) |
Sr1—O32i | 2.879 (11) | Sr6—O31 | 2.476 (8) |
Sr2—O53iii | 2.381 (13) | Sr6—O31vi | 2.476 (8) |
Sr2—O41ii | 2.428 (9) | Sr6—O13ix | 2.552 (10) |
Sr2—O43i | 2.505 (9) | Sr6—O13i | 2.552 (10) |
Sr2—O52iv | 2.506 (9) | Sr7—O42x | 2.479 (12) |
Sr2—O51v | 2.510 (8) | Sr7—O42 | 2.479 (12) |
Sr2—O61 | 2.832 (7) | Sr7—O23i | 2.709 (11) |
Sr2—O53v | 2.932 (14) | Sr7—O23xi | 2.709 (11) |
Sr3—O51vi | 2.555 (8) | Sr7—O22ii | 2.728 (10) |
Sr3—O62ii | 2.571 (8) | Sr7—O22xii | 2.728 (10) |
Sr3—O41 | 2.657 (11) | Sr7—O21xii | 2.787 (9) |
Sr3—O61i | 2.673 (9) | Sr7—O21ii | 2.787 (9) |
O12—Te1—O13 | 100.9 (5) | O32i—Sr5—O31ii | 124.0 (3) |
O12—Te1—O11 | 100.4 (5) | O61—Sr5—O31ii | 99.0 (3) |
O13—Te1—O11 | 101.8 (4) | O13vii—Sr5—O31ii | 102.1 (3) |
O23—Te2—O22 | 106.1 (5) | O51v—Sr5—O31ii | 146.5 (3) |
O23—Te2—O21 | 96.3 (4) | O52iv—Sr5—O31ii | 70.6 (3) |
O22—Te2—O21 | 95.6 (4) | O11—Sr5—O31ii | 69.1 (3) |
O33—Te3—O31 | 97.3 (4) | O32i—Sr5—O33ii | 69.7 (3) |
O33—Te3—O32 | 97.3 (4) | O61—Sr5—O33ii | 62.7 (3) |
O31—Te3—O32 | 97.3 (4) | O13vii—Sr5—O33ii | 151.3 (3) |
O42—Te4—O41 | 90.5 (5) | O51v—Sr5—O33ii | 128.5 (3) |
O42—Te4—O43 | 99.5 (5) | O52iv—Sr5—O33ii | 97.6 (3) |
O41—Te4—O43 | 95.9 (4) | O11—Sr5—O33ii | 62.6 (3) |
O62—Te6—O63 | 97.0 (4) | O31ii—Sr5—O33ii | 56.9 (2) |
O62—Te6—O61 | 94.2 (4) | O12ii—Sr6—O12viii | 180.0 (10) |
O63—Te6—O61 | 92.4 (4) | O12ii—Sr6—O31 | 89.8 (4) |
O63i—Sr1—O21ii | 127.8 (3) | O12viii—Sr6—O31 | 90.2 (4) |
O63i—Sr1—O62ii | 79.0 (3) | O12ii—Sr6—O31vi | 90.2 (4) |
O21ii—Sr1—O62ii | 79.0 (3) | O12viii—Sr6—O31vi | 89.8 (4) |
O63i—Sr1—O11 | 139.4 (3) | O31—Sr6—O31vi | 180.0 (3) |
O21ii—Sr1—O11 | 85.1 (3) | O12ii—Sr6—O13ix | 90.8 (4) |
O62ii—Sr1—O11 | 136.8 (3) | O12viii—Sr6—O13ix | 89.2 (4) |
O63i—Sr1—O33ii | 120.1 (3) | O31—Sr6—O13ix | 83.4 (3) |
O21ii—Sr1—O33ii | 98.5 (3) | O31vi—Sr6—O13ix | 96.6 (3) |
O62ii—Sr1—O33ii | 74.8 (3) | O12ii—Sr6—O13i | 89.2 (4) |
O11—Sr1—O33ii | 68.2 (3) | O12viii—Sr6—O13i | 90.8 (4) |
O63i—Sr1—O23i | 79.8 (3) | O31—Sr6—O13i | 96.6 (3) |
O21ii—Sr1—O23i | 74.2 (3) | O31vi—Sr6—O13i | 83.4 (3) |
O62ii—Sr1—O23i | 123.5 (3) | O13ix—Sr6—O13i | 180.0 (5) |
O11—Sr1—O23i | 89.2 (3) | O42x—Sr7—O42 | 147.1 (6) |
O33ii—Sr1—O23i | 157.0 (3) | O42x—Sr7—O23i | 87.4 (4) |
O63i—Sr1—O32i | 76.8 (3) | O42—Sr7—O23i | 71.1 (4) |
O21ii—Sr1—O32i | 153.9 (3) | O42x—Sr7—O23xi | 71.1 (4) |
O62ii—Sr1—O32i | 118.8 (3) | O42—Sr7—O23xi | 87.4 (4) |
O11—Sr1—O32i | 68.9 (3) | O23i—Sr7—O23xi | 98.6 (5) |
O33ii—Sr1—O32i | 70.8 (3) | O42x—Sr7—O22ii | 73.5 (4) |
O23i—Sr1—O32i | 106.1 (3) | O42—Sr7—O22ii | 137.0 (3) |
O53iii—Sr2—O41ii | 95.3 (4) | O23i—Sr7—O22ii | 111.4 (3) |
O53iii—Sr2—O43i | 90.1 (4) | O23xi—Sr7—O22ii | 131.9 (3) |
O41ii—Sr2—O43i | 81.7 (3) | O42x—Sr7—O22xii | 137.0 (3) |
O53iii—Sr2—O52iv | 125.7 (4) | O42—Sr7—O22xii | 73.5 (4) |
O41ii—Sr2—O52iv | 84.4 (3) | O23i—Sr7—O22xii | 131.9 (3) |
O43i—Sr2—O52iv | 142.7 (3) | O23xi—Sr7—O22xii | 111.4 (3) |
O53iii—Sr2—O51v | 128.7 (4) | O22ii—Sr7—O22xii | 75.4 (4) |
O41ii—Sr2—O51v | 134.0 (3) | O42x—Sr7—O21xii | 82.6 (3) |
O43i—Sr2—O51v | 85.3 (3) | O42—Sr7—O21xii | 114.8 (3) |
O52iv—Sr2—O51v | 79.8 (3) | O23i—Sr7—O21xii | 168.1 (3) |
O53iii—Sr2—O61 | 159.6 (3) | O23xi—Sr7—O21xii | 72.1 (3) |
O41ii—Sr2—O61 | 69.0 (3) | O22ii—Sr7—O21xii | 71.9 (3) |
O43i—Sr2—O61 | 75.3 (3) | O22xii—Sr7—O21xii | 59.8 (3) |
O52iv—Sr2—O61 | 67.5 (3) | O42x—Sr7—O21ii | 114.8 (3) |
O51v—Sr2—O61 | 65.1 (2) | O42—Sr7—O21ii | 82.6 (3) |
O53iii—Sr2—O53v | 70.0 (5) | O23i—Sr7—O21ii | 72.1 (3) |
O41ii—Sr2—O53v | 160.8 (4) | O23xi—Sr7—O21ii | 168.1 (3) |
O43i—Sr2—O53v | 85.8 (3) | O22ii—Sr7—O21ii | 59.8 (3) |
O52iv—Sr2—O53v | 114.1 (3) | O22xii—Sr7—O21ii | 71.9 (3) |
O51v—Sr2—O53v | 58.8 (3) | O21xii—Sr7—O21ii | 118.1 (4) |
O61—Sr2—O53v | 121.7 (3) | Te1—O11—Sr1 | 126.4 (4) |
O51vi—Sr3—O62ii | 111.2 (3) | Te1—O11—Sr5 | 125.0 (4) |
O51vi—Sr3—O41 | 100.3 (3) | Sr1—O11—Sr5 | 103.1 (3) |
O62ii—Sr3—O41 | 107.2 (3) | Te1—O12—Sr6i | 136.2 (6) |
O51vi—Sr3—O61i | 120.9 (2) | Te1—O13—Sr6ii | 127.9 (4) |
O62ii—Sr3—O61i | 127.8 (2) | Te1—O13—Sr5vii | 123.2 (5) |
O41—Sr3—O61i | 68.4 (3) | Sr6ii—O13—Sr5vii | 108.9 (3) |
O51vi—Sr3—O43 | 77.0 (3) | Te2—O21—Sr1i | 134.1 (4) |
O62ii—Sr3—O43 | 66.8 (3) | Te2—O21—Sr4 | 103.9 (4) |
O41—Sr3—O43 | 59.1 (2) | Sr1i—O21—Sr4 | 107.5 (3) |
O61i—Sr3—O43 | 127.0 (2) | Te2—O21—Sr7xiii | 100.9 (4) |
O51vi—Sr3—O63i | 176.3 (3) | Sr1i—O21—Sr7xiii | 107.2 (3) |
O62ii—Sr3—O63i | 70.6 (2) | Sr4—O21—Sr7xiii | 97.5 (3) |
O41—Sr3—O63i | 76.1 (3) | Te2—O22—Sr4iii | 148.3 (5) |
O61i—Sr3—O63i | 57.6 (2) | Te2—O22—Sr7xiii | 103.2 (4) |
O43—Sr3—O63i | 101.2 (3) | Sr4iii—O22—Sr7xiii | 104.6 (3) |
O51vi—Sr3—O32 | 73.3 (3) | Te2—O23—Sr7xiv | 127.8 (6) |
O62ii—Sr3—O32 | 75.3 (3) | Te2—O23—Sr1ii | 126.6 (5) |
O41—Sr3—O32 | 173.6 (3) | Sr7xiv—O23—Sr1ii | 101.3 (3) |
O61i—Sr3—O32 | 115.0 (2) | Te2—O23—Sr4 | 97.5 (4) |
O43—Sr3—O32 | 117.9 (3) | Sr7xiv—O23—Sr4 | 100.8 (3) |
O63i—Sr3—O32 | 110.4 (3) | Sr1ii—O23—Sr4 | 91.7 (3) |
O51vi—Sr3—O33 | 107.4 (3) | Te3—O31—Sr6 | 120.0 (4) |
O62ii—Sr3—O33 | 100.6 (3) | Te3—O31—Sr5i | 103.5 (3) |
O41—Sr3—O33 | 129.8 (3) | Sr6—O31—Sr5i | 108.2 (3) |
O61i—Sr3—O33 | 61.5 (2) | Te3—O32—Sr5ii | 110.5 (4) |
O43—Sr3—O33 | 167.2 (3) | Te3—O32—Sr1ii | 96.9 (4) |
O63i—Sr3—O33 | 75.0 (3) | Sr5ii—O32—Sr1ii | 98.6 (3) |
O32—Sr3—O33 | 54.3 (3) | Te3—O32—Sr3 | 93.7 (4) |
O51vi—Sr3—O52vi | 59.3 (2) | Sr5ii—O32—Sr3 | 95.7 (3) |
O62ii—Sr3—O52vi | 168.8 (3) | Sr1ii—O32—Sr3 | 158.0 (4) |
O41—Sr3—O52vi | 70.7 (3) | Te3—O33—Sr1i | 103.3 (5) |
O61i—Sr3—O52vi | 62.4 (2) | Te3—O33—Sr5i | 94.0 (4) |
O43—Sr3—O52vi | 103.8 (3) | Sr1i—O33—Sr5i | 93.2 (3) |
O63i—Sr3—O52vi | 118.4 (2) | Te3—O33—Sr3 | 93.9 (4) |
O32—Sr3—O52vi | 105.7 (3) | Sr1i—O33—Sr3 | 162.5 (4) |
O33—Sr3—O52vi | 88.6 (3) | Sr5i—O33—Sr3 | 82.0 (3) |
O51vi—Sr3—O61ii | 57.8 (2) | Te4—O41—Sr2i | 139.0 (5) |
O62ii—Sr3—O61ii | 54.0 (2) | Te4—O41—Sr3 | 106.3 (4) |
O41—Sr3—O61ii | 122.1 (2) | Sr2i—O41—Sr3 | 102.9 (4) |
O61i—Sr3—O61ii | 169.2 (3) | Te4—O41—Sr4i | 101.6 (4) |
O43—Sr3—O61ii | 63.7 (2) | Sr2i—O41—Sr4i | 99.0 (3) |
O63i—Sr3—O61ii | 124.4 (2) | Sr3—O41—Sr4i | 103.3 (3) |
O32—Sr3—O61ii | 54.2 (2) | Te4—O42—Sr7 | 138.5 (7) |
O33—Sr3—O61ii | 108.0 (2) | Te4—O42—Sr4i | 107.3 (5) |
O52vi—Sr3—O61ii | 117.1 (2) | Sr7—O42—Sr4i | 112.3 (4) |
O22iii—Sr4—O43i | 83.3 (3) | Te4—O43—Sr2ii | 125.5 (4) |
O22iii—Sr4—O63 | 164.4 (3) | Te4—O43—Sr4ii | 121.0 (4) |
O43i—Sr4—O63 | 112.3 (3) | Sr2ii—O43—Sr4ii | 102.5 (3) |
O22iii—Sr4—O21 | 79.4 (3) | Te4—O43—Sr3 | 97.9 (3) |
O43i—Sr4—O21 | 107.1 (3) | Sr2ii—O43—Sr3 | 93.6 (3) |
O63—Sr4—O21 | 95.6 (3) | Sr4ii—O43—Sr3 | 112.4 (3) |
O22iii—Sr4—O42ii | 81.0 (4) | Te5—O51—Sr2viii | 109.8 (4) |
O43i—Sr4—O42ii | 121.7 (3) | Te5—O51—Sr3vi | 108.7 (4) |
O63—Sr4—O42ii | 89.9 (3) | Sr2viii—O51—Sr3vi | 102.1 (3) |
O21—Sr4—O42ii | 124.2 (3) | Te5—O51—Sr5viii | 127.7 (4) |
O22iii—Sr4—O41ii | 105.3 (3) | Sr2viii—O51—Sr5viii | 97.4 (3) |
O43i—Sr4—O41ii | 74.5 (3) | Sr3vi—O51—Sr5viii | 107.8 (3) |
O63—Sr4—O41ii | 79.7 (3) | Te5—O52—Sr2ix | 129.4 (5) |
O21—Sr4—O41ii | 175.2 (3) | Te5—O52—Sr5ix | 133.6 (5) |
O42ii—Sr4—O41ii | 56.7 (3) | Sr2ix—O52—Sr5ix | 96.9 (3) |
O22iii—Sr4—O23 | 87.2 (3) | Te5—O52—Sr3vi | 92.4 (3) |
O43i—Sr4—O23 | 165.8 (3) | Sr2ix—O52—Sr3vi | 91.0 (3) |
O63—Sr4—O23 | 77.5 (3) | Sr5ix—O52—Sr3vi | 88.8 (3) |
O21—Sr4—O23 | 60.6 (3) | Te5—O53—Sr2iii | 151.8 (6) |
O42ii—Sr4—O23 | 66.8 (3) | Te5—O53—Sr2viii | 94.8 (5) |
O41ii—Sr4—O23 | 118.4 (3) | Sr2iii—O53—Sr2viii | 110.0 (5) |
O22iii—Sr4—O62 | 129.1 (3) | Te6—O61—Sr5 | 117.6 (3) |
O43i—Sr4—O62 | 67.4 (3) | Te6—O61—Sr3ii | 99.3 (3) |
O63—Sr4—O62 | 61.3 (2) | Sr5—O61—Sr3ii | 98.1 (3) |
O21—Sr4—O62 | 71.5 (3) | Te6—O61—Sr2 | 147.7 (4) |
O42ii—Sr4—O62 | 149.7 (3) | Sr5—O61—Sr2 | 90.03 (18) |
O41ii—Sr4—O62 | 105.4 (3) | Sr3ii—O61—Sr2 | 92.5 (2) |
O23—Sr4—O62 | 111.7 (3) | Te6—O61—Sr3i | 83.5 (3) |
O32i—Sr5—O61 | 67.5 (3) | Sr5—O61—Sr3i | 89.7 (2) |
O32i—Sr5—O13vii | 119.4 (3) | Sr3ii—O61—Sr3i | 169.2 (3) |
O61—Sr5—O13vii | 145.5 (3) | Sr2—O61—Sr3i | 80.0 (2) |
O32i—Sr5—O51v | 80.5 (3) | Te6—O62—Sr1i | 132.9 (4) |
O61—Sr5—O51v | 67.5 (3) | Te6—O62—Sr3i | 106.8 (3) |
O13vii—Sr5—O51v | 80.1 (3) | Sr1i—O62—Sr3i | 108.9 (3) |
O32i—Sr5—O52iv | 136.3 (3) | Te6—O62—Sr4 | 92.0 (3) |
O61—Sr5—O52iv | 69.5 (3) | Sr1i—O62—Sr4 | 101.1 (3) |
O13vii—Sr5—O52iv | 92.3 (3) | Sr3i—O62—Sr4 | 113.2 (3) |
O51v—Sr5—O52iv | 76.0 (3) | Te6—O63—Sr1ii | 147.1 (5) |
O32i—Sr5—O11 | 72.8 (3) | Te6—O63—Sr4 | 100.4 (4) |
O61—Sr5—O11 | 120.3 (2) | Sr1ii—O63—Sr4 | 106.6 (3) |
O13vii—Sr5—O11 | 92.8 (3) | Te6—O63—Sr3ii | 91.7 (3) |
O51v—Sr5—O11 | 144.4 (3) | Sr1ii—O63—Sr3ii | 101.0 (3) |
O52iv—Sr5—O11 | 139.5 (3) | Sr4—O63—Sr3ii | 101.0 (3) |
Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, y−1/2, −z+1/2; (iii) −x+1, y, −z+1/2; (iv) x, −y, z+1/2; (v) x, −y+1, z+1/2; (vi) −x+1/2, −y+1/2, −z; (vii) −x+1/2, −y+1/2, −z+1; (viii) x, −y+1, z−1/2; (ix) x, −y, z−1/2; (x) −x, y, −z+1/2; (xi) x−1/2, y+1/2, z; (xii) x−1/2, y−1/2, z; (xiii) x+1/2, y+1/2, z; (xiv) x+1/2, y−1/2, z. |