Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680700164X/br2023sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680700164X/br2023Isup2.hkl |
Data collection: CAD-4-PC (Enraf–Nonius, 1993); cell refinement: CAD-4-PC; data reduction: CAD-4-PC; 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: CIFTAB97 (Sheldrick, 1997).
SrTeO3 | F(000) = 2736 |
Mr = 263.22 | Dx = 4.887 Mg m−3 |
Monoclinic, C2 | Ag Kα radiation, λ = 0.56086 Å |
Hall symbol: C 2y | Cell parameters from 24 reflections |
a = 28.151 (6) Å | θ = 12.5–14.7° |
b = 5.897 (1) Å | µ = 12.28 mm−1 |
c = 15.261 (3) Å | T = 295 K |
β = 122.09 (3)° | Prism, colourless |
V = 2146.3 (8) Å3 | 0.24 × 0.22 × 0.09 mm |
Z = 24 |
Enraf–Nonius CAD-4 diffractometer | 2061 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.026 |
β-filter monochromator | θmax = 23.0°, θmin = 2.3° |
ω/2θ scans | h = −34→38 |
Absorption correction: analytical (Alcock, 1970) | k = −8→0 |
Tmin = 0.138, Tmax = 0.381 | l = −17→21 |
3410 measured reflections | 3 standard reflections every 60 min |
3277 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)] = 0.028 | w = 1/[σ2(Fo2) + (0.0405P)2] |
wR(F2) = 0.068 | (Δ/σ)max = 0.001 |
S = 0.94 | Δρmax = 3.80 e Å−3 |
3277 reflections | Δρmin = −2.16 e Å−3 |
183 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
1 restraint | Extinction coefficient: 0.00035 (3) |
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 | −0.02091 (3) | 0.42844 (19) | 0.14820 (5) | 0.01340 (15) | |
Te2 | 0.49342 (3) | 0.43320 (19) | 0.65256 (5) | 0.01180 (14) | |
Te3 | 0.11352 (3) | −0.0584 (2) | 0.27859 (5) | 0.01102 (13) | |
Te4 | 0.35336 (3) | −0.04424 (19) | 0.22079 (6) | 0.01521 (16) | |
Te5 | 0.14924 (3) | 0.91980 (17) | 0.00072 (5) | 0.01320 (16) | |
Te6 | 0.26279 (3) | 0.45262 (19) | 0.41884 (5) | 0.00959 (15) | |
Sr1 | 0.12277 (3) | 0.4462 (3) | 0.41850 (6) | 0.01153 (17) | |
Sr2 | 0.24678 (4) | 0.4650 (3) | 0.11049 (7) | 0.0121 (2) | |
Sr3 | 0.24301 (4) | −0.0385 (3) | 0.27858 (7) | 0.0167 (2) | |
Sr4 | 0.37734 (4) | 0.4199 (3) | 0.39371 (7) | 0.0129 (2) | |
Sr5 | 0.12633 (3) | 0.4392 (3) | 0.15586 (6) | 0.01158 (18) | |
Sr6 | 0.0000 | −0.0939 (3) | 0.0000 | 0.0165 (4) | |
Sr7 | 0.5000 | 0.8966 (3) | 0.5000 | 0.0137 (3) | |
O11 | 0.0555 (4) | 0.5065 (15) | 0.2158 (6) | 0.0176 (19)* | |
O12 | −0.0194 (5) | 0.133 (2) | 0.1132 (8) | 0.036 (3)* | |
O13 | −0.0503 (4) | 0.5710 (18) | 0.0221 (7) | 0.025 (2)* | |
O21 | 0.4404 (4) | 0.6562 (16) | 0.5747 (7) | 0.0174 (19)* | |
O22 | 0.5447 (4) | 0.5336 (18) | 0.6211 (7) | 0.023 (2)* | |
O23 | 0.4538 (4) | 0.1913 (17) | 0.5624 (7) | 0.0178 (19)* | |
O31 | 0.1620 (4) | 0.1874 (18) | 0.3371 (7) | 0.020 (2)* | |
O32 | 0.0968 (3) | −0.0118 (14) | 0.1460 (5) | 0.0128 (16)* | |
O33 | 0.1682 (4) | −0.2823 (17) | 0.3169 (8) | 0.022 (2)* | |
O41 | 0.3235 (5) | −0.3008 (17) | 0.2467 (8) | 0.021 (2)* | |
O42 | 0.4122 (5) | 0.030 (2) | 0.3459 (8) | 0.036 (3)* | |
O43 | 0.3062 (4) | 0.1619 (17) | 0.2293 (7) | 0.0164 (19)* | |
O51 | 0.1789 (3) | 0.7291 (14) | 0.1156 (6) | 0.0116 (16)* | |
O52 | 0.2086 (5) | 0.8573 (19) | −0.0165 (8) | 0.031 (2)* | |
O53 | 0.1698 (4) | 1.1927 (18) | 0.0694 (7) | 0.022 (2)* | |
O61 | 0.2331 (3) | 0.4019 (16) | 0.2788 (5) | 0.0148 (16)* | |
O62 | 0.3069 (4) | 0.6984 (16) | 0.4295 (7) | 0.0126 (18)* | |
O63 | 0.3168 (4) | 0.2248 (17) | 0.4548 (7) | 0.017 (2)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Te1 | 0.0091 (3) | 0.0157 (4) | 0.0152 (3) | −0.0001 (5) | 0.0063 (2) | −0.0004 (4) |
Te2 | 0.0096 (3) | 0.0118 (4) | 0.0151 (3) | 0.0000 (5) | 0.0072 (2) | 0.0004 (5) |
Te3 | 0.0101 (3) | 0.0097 (3) | 0.0156 (3) | 0.0008 (5) | 0.0084 (2) | −0.0004 (5) |
Te4 | 0.0129 (3) | 0.0109 (4) | 0.0260 (3) | −0.0001 (4) | 0.0131 (3) | −0.0017 (4) |
Te5 | 0.0110 (3) | 0.0112 (4) | 0.0140 (3) | −0.0002 (4) | 0.0044 (2) | −0.0001 (4) |
Te6 | 0.0073 (3) | 0.0099 (4) | 0.0121 (3) | 0.0007 (5) | 0.0055 (2) | 0.0009 (4) |
Sr1 | 0.0091 (3) | 0.0091 (4) | 0.0140 (4) | −0.0024 (6) | 0.0046 (3) | −0.0024 (6) |
Sr2 | 0.0089 (3) | 0.0113 (6) | 0.0165 (4) | 0.0010 (5) | 0.0070 (3) | 0.0011 (5) |
Sr3 | 0.0168 (4) | 0.0163 (6) | 0.0159 (4) | −0.0041 (6) | 0.0079 (3) | −0.0009 (5) |
Sr4 | 0.0086 (4) | 0.0138 (6) | 0.0157 (4) | −0.0004 (5) | 0.0060 (3) | 0.0023 (5) |
Sr5 | 0.0073 (3) | 0.0135 (5) | 0.0138 (4) | 0.0007 (7) | 0.0055 (3) | 0.0008 (6) |
Sr6 | 0.0077 (5) | 0.0159 (10) | 0.0204 (6) | 0.000 | 0.0038 (5) | 0.000 |
Sr7 | 0.0083 (5) | 0.0097 (9) | 0.0221 (6) | 0.000 | 0.0074 (5) | 0.000 |
Te1—O12 | 1.829 (13) | Sr3—O63 | 2.832 (10) |
Te1—O13 | 1.845 (10) | Sr3—O33 | 2.855 (11) |
Te1—O11 | 1.883 (9) | Sr3—O41 | 2.990 (11) |
Te2—O22 | 1.844 (10) | Sr3—O53v | 3.051 (10) |
Te2—O21 | 1.867 (9) | Sr3—O31 | 3.151 (11) |
Te2—O23 | 1.882 (10) | Sr4—O22vi | 2.417 (10) |
Te3—O32 | 1.838 (7) | Sr4—O41iii | 2.536 (10) |
Te3—O31 | 1.862 (10) | Sr4—O63 | 2.605 (10) |
Te3—O33 | 1.871 (11) | Sr4—O23 | 2.681 (10) |
Te4—O42 | 1.796 (11) | Sr4—O43 | 2.698 (10) |
Te4—O43 | 1.854 (10) | Sr4—O21 | 2.740 (9) |
Te4—O41 | 1.872 (11) | Sr4—O42 | 2.745 (13) |
Te5—O53 | 1.838 (10) | Sr4—O62 | 2.843 (10) |
Te5—O52 | 1.862 (12) | Sr5—O13vii | 2.526 (10) |
Te5—O51 | 1.866 (8) | Sr5—O51 | 2.540 (9) |
Te6—O62 | 1.858 (10) | Sr5—O61 | 2.571 (7) |
Te6—O61 | 1.860 (7) | Sr5—O11 | 2.628 (9) |
Te6—O63 | 1.879 (10) | Sr5—O33iii | 2.655 (10) |
Sr1—O63i | 2.417 (10) | Sr5—O53v | 2.659 (10) |
Sr1—O21ii | 2.509 (10) | Sr5—O32 | 2.767 (8) |
Sr1—O31 | 2.560 (11) | Sr5—O31 | 2.813 (10) |
Sr1—O62ii | 2.561 (9) | Sr6—O12 | 2.464 (12) |
Sr1—O11 | 2.657 (8) | Sr6—O12vii | 2.464 (12) |
Sr1—O23i | 2.736 (10) | Sr6—O32vii | 2.484 (8) |
Sr1—O33iii | 2.952 (11) | Sr6—O32 | 2.484 (8) |
Sr2—O52iv | 2.439 (11) | Sr6—O13v | 2.557 (11) |
Sr2—O43 | 2.461 (9) | Sr6—O13viii | 2.557 (11) |
Sr2—O41iii | 2.474 (10) | Sr7—O42ix | 2.467 (12) |
Sr2—O53v | 2.494 (10) | Sr7—O42iii | 2.467 (11) |
Sr2—O51 | 2.499 (9) | Sr7—O23ix | 2.634 (11) |
Sr2—O61 | 2.816 (7) | Sr7—O23iii | 2.634 (11) |
Sr2—O52 | 2.837 (11) | Sr7—O22vi | 2.667 (10) |
Sr3—O62v | 2.558 (9) | Sr7—O22 | 2.667 (10) |
Sr3—O51v | 2.560 (8) | Sr7—O21vi | 2.855 (11) |
Sr3—O43 | 2.560 (10) | Sr7—O21 | 2.855 (11) |
Sr3—O61 | 2.612 (10) | ||
O12—Te1—O13 | 101.3 (5) | O13vii—Sr5—O32 | 100.3 (3) |
O12—Te1—O11 | 101.2 (5) | O51—Sr5—O32 | 146.2 (3) |
O13—Te1—O11 | 102.1 (4) | O61—Sr5—O32 | 99.1 (3) |
O22—Te2—O21 | 94.6 (5) | O11—Sr5—O32 | 84.4 (3) |
O22—Te2—O23 | 107.2 (4) | O33iii—Sr5—O32 | 128.1 (3) |
O21—Te2—O23 | 96.0 (4) | O53v—Sr5—O32 | 69.7 (3) |
O32—Te3—O31 | 96.1 (4) | O13vii—Sr5—O31 | 151.1 (3) |
O32—Te3—O33 | 97.9 (4) | O51—Sr5—O31 | 130.0 (3) |
O31—Te3—O33 | 97.3 (4) | O61—Sr5—O31 | 64.5 (3) |
O42—Te4—O43 | 93.2 (5) | O11—Sr5—O31 | 71.2 (3) |
O42—Te4—O41 | 103.8 (5) | O33iii—Sr5—O31 | 70.4 (3) |
O43—Te4—O41 | 95.6 (5) | O53v—Sr5—O31 | 100.4 (3) |
O53—Te5—O52 | 102.6 (5) | O32—Sr5—O31 | 59.1 (3) |
O53—Te5—O51 | 98.3 (5) | O12—Sr6—O12vii | 114.2 (6) |
O52—Te5—O51 | 91.5 (4) | O12—Sr6—O32vii | 88.7 (3) |
O62—Te6—O61 | 95.6 (4) | O12vii—Sr6—O32vii | 79.1 (3) |
O62—Te6—O63 | 97.7 (4) | O12—Sr6—O32 | 79.1 (3) |
O61—Te6—O63 | 91.1 (4) | O12vii—Sr6—O32 | 88.7 (3) |
O62—Te6—Sr4 | 55.5 (3) | O32vii—Sr6—O32 | 157.5 (4) |
O61—Te6—Sr4 | 74.9 (2) | O12—Sr6—O13v | 89.0 (4) |
O63—Te6—Sr4 | 48.2 (3) | O12vii—Sr6—O13v | 149.0 (3) |
O63i—Sr1—O21ii | 130.1 (3) | O32vii—Sr6—O13v | 81.3 (3) |
O63i—Sr1—O31 | 119.4 (3) | O32—Sr6—O13v | 116.9 (3) |
O21ii—Sr1—O31 | 96.5 (3) | O12—Sr6—O13viii | 149.0 (3) |
O63i—Sr1—O62ii | 77.6 (3) | O12vii—Sr6—O13viii | 89.0 (4) |
O21ii—Sr1—O62ii | 78.3 (3) | O32vii—Sr6—O13viii | 116.9 (3) |
O31—Sr1—O62ii | 76.9 (3) | O32—Sr6—O13viii | 81.3 (3) |
O63i—Sr1—O11 | 127.2 (3) | O13v—Sr6—O13viii | 78.7 (5) |
O21ii—Sr1—O11 | 93.3 (3) | O42ix—Sr7—O42iii | 142.7 (6) |
O31—Sr1—O11 | 74.9 (3) | O42ix—Sr7—O23ix | 72.3 (3) |
O62ii—Sr1—O11 | 149.4 (3) | O42iii—Sr7—O23ix | 83.2 (4) |
O63i—Sr1—O23i | 79.4 (3) | O42ix—Sr7—O23iii | 83.2 (4) |
O21ii—Sr1—O23i | 74.9 (4) | O42iii—Sr7—O23iii | 72.3 (3) |
O31—Sr1—O23i | 159.1 (3) | O23ix—Sr7—O23iii | 97.4 (4) |
O62ii—Sr1—O23i | 118.6 (3) | O42ix—Sr7—O22vi | 141.5 (4) |
O11—Sr1—O23i | 86.5 (3) | O42iii—Sr7—O22vi | 74.4 (4) |
O63i—Sr1—O33iii | 74.6 (3) | O23ix—Sr7—O22vi | 114.9 (3) |
O21ii—Sr1—O33iii | 155.0 (3) | O23iii—Sr7—O22vi | 129.7 (3) |
O31—Sr1—O33iii | 69.4 (3) | O42ix—Sr7—O22 | 74.4 (4) |
O62ii—Sr1—O33iii | 116.3 (3) | O42iii—Sr7—O22 | 141.5 (4) |
O11—Sr1—O33iii | 63.6 (3) | O23ix—Sr7—O22 | 129.7 (3) |
O23i—Sr1—O33iii | 110.8 (3) | O23iii—Sr7—O22 | 114.9 (3) |
O52iv—Sr2—O43 | 83.3 (3) | O22vi—Sr7—O22 | 73.2 (4) |
O52iv—Sr2—O41iii | 98.4 (4) | O42ix—Sr7—O21vi | 92.1 (3) |
O43—Sr2—O41iii | 80.7 (3) | O42iii—Sr7—O21vi | 106.4 (3) |
O52iv—Sr2—O53v | 109.5 (4) | O23ix—Sr7—O21vi | 71.1 (3) |
O43—Sr2—O53v | 83.0 (3) | O23iii—Sr7—O21vi | 168.5 (3) |
O41iii—Sr2—O53v | 145.6 (3) | O22vi—Sr7—O21vi | 59.1 (3) |
O52iv—Sr2—O51 | 145.3 (3) | O22—Sr7—O21vi | 73.6 (3) |
O43—Sr2—O51 | 131.4 (3) | O42ix—Sr7—O21 | 106.4 (3) |
O41iii—Sr2—O51 | 88.1 (3) | O42iii—Sr7—O21 | 92.1 (3) |
O53v—Sr2—O51 | 80.3 (3) | O23ix—Sr7—O21 | 168.5 (3) |
O52iv—Sr2—O61 | 149.8 (3) | O23iii—Sr7—O21 | 71.1 (3) |
O43—Sr2—O61 | 66.5 (3) | O22vi—Sr7—O21 | 73.6 (3) |
O41iii—Sr2—O61 | 77.8 (3) | O22—Sr7—O21 | 59.1 (3) |
O53v—Sr2—O61 | 67.9 (3) | O21vi—Sr7—O21 | 120.5 (4) |
O51—Sr2—O61 | 64.9 (3) | Te1—O11—Sr5 | 129.0 (4) |
O52iv—Sr2—O52 | 86.4 (3) | Te1—O11—Sr1 | 120.3 (4) |
O43—Sr2—O52 | 163.3 (3) | Sr5—O11—Sr1 | 100.5 (3) |
O41iii—Sr2—O52 | 87.9 (3) | Te1—O12—Sr6 | 140.4 (6) |
O53v—Sr2—O52 | 113.0 (3) | Te1—O13—Sr5vii | 129.5 (5) |
O51—Sr2—O52 | 59.7 (3) | Te1—O13—Sr6iii | 121.1 (5) |
O61—Sr2—O52 | 123.0 (3) | Sr5vii—O13—Sr6iii | 107.9 (4) |
O62v—Sr3—O51v | 110.2 (3) | Te2—O21—Sr1i | 142.9 (5) |
O62v—Sr3—O43 | 106.2 (3) | Te2—O21—Sr4 | 98.9 (4) |
O51v—Sr3—O43 | 101.7 (3) | Sr1i—O21—Sr4 | 107.1 (3) |
O62v—Sr3—O61 | 128.8 (3) | Te2—O21—Sr7 | 99.4 (4) |
O51v—Sr3—O61 | 120.8 (2) | Sr1i—O21—Sr7 | 104.9 (3) |
O43—Sr3—O61 | 68.4 (3) | Sr4—O21—Sr7 | 93.1 (3) |
O62v—Sr3—O63 | 70.6 (2) | Te2—O22—Sr4vi | 144.1 (5) |
O51v—Sr3—O63 | 177.4 (3) | Te2—O22—Sr7 | 106.9 (4) |
O43—Sr3—O63 | 75.7 (3) | Sr4vi—O22—Sr7 | 106.0 (4) |
O61—Sr3—O63 | 58.6 (3) | Te2—O23—Sr7v | 123.3 (5) |
O62v—Sr3—O33 | 75.6 (3) | Te2—O23—Sr4 | 100.5 (4) |
O51v—Sr3—O33 | 73.3 (3) | Sr7v—O23—Sr4 | 106.5 (3) |
O43—Sr3—O33 | 175.0 (3) | Te2—O23—Sr1ii | 121.1 (5) |
O61—Sr3—O33 | 114.2 (3) | Sr7v—O23—Sr1ii | 105.0 (3) |
O63—Sr3—O33 | 109.3 (3) | Sr4—O23—Sr1ii | 95.3 (3) |
O62v—Sr3—O41 | 66.5 (3) | Te3—O31—Sr1 | 107.5 (5) |
O51v—Sr3—O41 | 76.7 (3) | Te3—O31—Sr5 | 98.7 (4) |
O43—Sr3—O41 | 59.0 (3) | Sr1—O31—Sr5 | 98.1 (3) |
O61—Sr3—O41 | 127.2 (3) | Te3—O31—Sr3 | 89.5 (4) |
O63—Sr3—O41 | 101.6 (3) | Sr1—O31—Sr3 | 162.4 (4) |
O33—Sr3—O41 | 118.6 (3) | Sr5—O31—Sr3 | 83.0 (3) |
O62v—Sr3—O53v | 166.9 (3) | Te3—O32—Sr6 | 118.5 (4) |
O51v—Sr3—O53v | 59.1 (3) | Te3—O32—Sr5 | 101.0 (3) |
O43—Sr3—O53v | 71.0 (3) | Sr6—O32—Sr5 | 113.0 (3) |
O61—Sr3—O53v | 62.8 (2) | Te3—O33—Sr5v | 105.1 (4) |
O63—Sr3—O53v | 119.7 (3) | Te3—O33—Sr3 | 98.9 (4) |
O33—Sr3—O53v | 106.1 (3) | Sr5v—O33—Sr3 | 97.8 (4) |
O41—Sr3—O53v | 102.1 (3) | Te3—O33—Sr1v | 91.9 (4) |
O62v—Sr3—O31 | 105.6 (3) | Sr5v—O33—Sr1v | 92.7 (3) |
O51v—Sr3—O31 | 105.0 (3) | Sr3—O33—Sr1v | 162.5 (4) |
O43—Sr3—O31 | 127.5 (3) | Te4—O41—Sr2v | 124.3 (5) |
O61—Sr3—O31 | 59.1 (3) | Te4—O41—Sr4v | 126.0 (5) |
O63—Sr3—O31 | 77.0 (3) | Sr2v—O41—Sr4v | 103.0 (4) |
O33—Sr3—O31 | 55.4 (2) | Te4—O41—Sr3 | 94.6 (4) |
O41—Sr3—O31 | 171.8 (3) | Sr2v—O41—Sr3 | 91.5 (3) |
O53v—Sr3—O31 | 85.4 (3) | Sr4v—O41—Sr3 | 109.9 (4) |
O22vi—Sr4—O41iii | 83.2 (4) | Te4—O42—Sr7v | 145.7 (7) |
O22vi—Sr4—O63 | 162.8 (3) | Te4—O42—Sr4 | 103.3 (5) |
O41iii—Sr4—O63 | 114.0 (3) | Sr7v—O42—Sr4 | 109.4 (4) |
O22vi—Sr4—O23 | 85.6 (3) | Te4—O43—Sr2 | 131.0 (5) |
O41iii—Sr4—O23 | 166.8 (3) | Te4—O43—Sr3 | 110.7 (4) |
O63—Sr4—O23 | 77.2 (3) | Sr2—O43—Sr3 | 104.2 (4) |
O22vi—Sr4—O43 | 109.3 (3) | Te4—O43—Sr4 | 103.3 (4) |
O41iii—Sr4—O43 | 75.2 (3) | Sr2—O43—Sr4 | 98.8 (3) |
O63—Sr4—O43 | 77.3 (3) | Sr3—O43—Sr4 | 106.0 (3) |
O23—Sr4—O43 | 115.5 (3) | Te5—O51—Sr2 | 108.3 (4) |
O22vi—Sr4—O21 | 79.6 (3) | Te5—O51—Sr5 | 127.3 (4) |
O41iii—Sr4—O21 | 108.9 (3) | Sr2—O51—Sr5 | 98.1 (3) |
O63—Sr4—O21 | 93.5 (3) | Te5—O51—Sr3iii | 108.8 (4) |
O23—Sr4—O21 | 61.9 (3) | Sr2—O51—Sr3iii | 102.0 (3) |
O43—Sr4—O21 | 170.8 (3) | Sr5—O51—Sr3iii | 109.0 (3) |
O22vi—Sr4—O42 | 74.7 (4) | Te5—O52—Sr2x | 144.4 (6) |
O41iii—Sr4—O42 | 116.0 (3) | Te5—O52—Sr2 | 96.2 (4) |
O63—Sr4—O42 | 96.9 (3) | Sr2x—O52—Sr2 | 119.2 (4) |
O23—Sr4—O42 | 67.4 (3) | Te5—O53—Sr2iii | 132.5 (5) |
O43—Sr4—O42 | 58.3 (3) | Te5—O53—Sr5iii | 132.3 (5) |
O21—Sr4—O42 | 124.2 (3) | Sr2iii—O53—Sr5iii | 95.2 (3) |
O22vi—Sr4—O62 | 128.2 (3) | Te5—O53—Sr3iii | 92.2 (4) |
O41iii—Sr4—O62 | 69.2 (3) | Sr2iii—O53—Sr3iii | 90.6 (3) |
O63—Sr4—O62 | 62.0 (3) | Sr5iii—O53—Sr3iii | 87.6 (3) |
O23—Sr4—O62 | 113.1 (3) | Te6—O61—Sr5 | 117.5 (4) |
O43—Sr4—O62 | 104.8 (3) | Te6—O61—Sr3 | 100.3 (3) |
O21—Sr4—O62 | 70.0 (3) | Sr5—O61—Sr3 | 99.7 (3) |
O42—Sr4—O62 | 156.8 (3) | Te6—O61—Sr2 | 146.2 (4) |
O13vii—Sr5—O51 | 78.6 (3) | Sr5—O61—Sr2 | 89.8 (2) |
O13vii—Sr5—O61 | 143.6 (3) | Sr3—O61—Sr2 | 93.7 (3) |
O51—Sr5—O61 | 68.2 (3) | Te6—O62—Sr3iii | 106.1 (4) |
O13vii—Sr5—O11 | 87.8 (3) | Te6—O62—Sr1i | 133.1 (4) |
O51—Sr5—O11 | 129.0 (3) | Sr3iii—O62—Sr1i | 107.8 (4) |
O61—Sr5—O11 | 124.6 (2) | Te6—O62—Sr4 | 92.0 (4) |
O13vii—Sr5—O33iii | 120.7 (3) | Sr3iii—O62—Sr4 | 113.9 (3) |
O51—Sr5—O33iii | 77.2 (3) | Sr1i—O62—Sr4 | 102.7 (3) |
O61—Sr5—O33iii | 66.8 (3) | Te6—O63—Sr1ii | 146.8 (5) |
O11—Sr5—O33iii | 68.3 (3) | Te6—O63—Sr4 | 99.3 (4) |
O13vii—Sr5—O53v | 89.1 (3) | Sr1ii—O63—Sr4 | 105.7 (4) |
O51—Sr5—O53v | 76.5 (3) | Te6—O63—Sr3 | 92.5 (4) |
O61—Sr5—O53v | 69.3 (3) | Sr1ii—O63—Sr3 | 103.7 (3) |
O11—Sr5—O53v | 152.8 (3) | Sr4—O63—Sr3 | 101.1 (3) |
O33iii—Sr5—O53v | 134.6 (3) |
Symmetry codes: (i) −x+1/2, y+1/2, −z+1; (ii) −x+1/2, y−1/2, −z+1; (iii) x, y+1, z; (iv) −x+1/2, y−1/2, −z; (v) x, y−1, z; (vi) −x+1, y, −z+1; (vii) −x, y, −z; (viii) −x, y−1, −z; (ix) −x+1, y+1, −z+1; (x) −x+1/2, y+1/2, −z. |