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The crystal structure of strontium tellurite (STO), SrTeO3, has been determined at room temperature using X-ray diffraction data obtained from single crystals grown by the Czochralski method. Selection of a non-centrosymmetric (C2) structure model was confirmed by the second harmonic generation test. The structure of STO is built up of three types of distorted [SrOx] polyhedra (x = 6, 7 and 8) which share their oxygen anions with TeO3 pyramidal units. These main anionic polyhedra are responsible for establishing two types of tunnels required for the electron lone pairs of the Te4+ cation.
Supporting information
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (e-O) = 0.011 Å
- R factor = 0.028
- wR factor = 0.068
- Data-to-parameter ratio = 17.9
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT432_ALERT_2_A Short Inter X...Y Contact Te3 .. O11 .. 2.92 Ang.
| Author Response: see _publ_section_comment .
|
PROBLEM: Short Inter X...Y Contact Te6 .. O33 .. 2.75 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PROBLEM: Short Inter X...Y Contact Te6 .. O31 .. 2.88 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PLAT432_ALERT_2_A Short Inter X...Y Contact Te6 .. O33 .. 2.75 Ang.
| Author Response: see _publ_section_comment .
|
PROBLEM: Short Inter X...Y Contact Te6 .. O33 .. 2.75 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PROBLEM: Short Inter X...Y Contact Te6 .. O31 .. 2.88 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PLAT432_ALERT_2_A Short Inter X...Y Contact Te6 .. O31 .. 2.88 Ang.
| Author Response: see _publ_section_comment .
|
PROBLEM: Short Inter X...Y Contact Te6 .. O33 .. 2.75 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PROBLEM: Short Inter X...Y Contact Te6 .. O31 .. 2.88 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
Alert level C
CELLV02_ALERT_1_C The supplied cell volume s.u. differs from that
calculated from the cell parameter s.u.'s by > 2
Calculated cell volume su = 10.08
Cell volume su given = 8.00
RADNW01_ALERT_1_C The radiation wavelength lies outside the expected range
for the supplied radiation type. Expected range 0.56080-0.56085
Wavelength given = 0.56086
PLAT034_ALERT_1_C No Flack Parameter Given. Z .GT. Si, NonCentro . ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.67 Ratio
PLAT430_ALERT_2_C Short Inter D...A Contact O31 .. O61 .. 2.88 Ang.
PLAT430_ALERT_2_C Short Inter D...A Contact O33 .. O61 .. 2.88 Ang.
PLAT430_ALERT_2_C Short Inter D...A Contact O51 .. O61 .. 2.87 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact Te5 .. O32 .. 3.28 Ang.
| Author Response: see _publ_section_comment .
|
PROBLEM: Short Inter X...Y Contact Te6 .. O33 .. 2.75 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PROBLEM: Short Inter X...Y Contact Te6 .. O31 .. 2.88 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PLAT432_ALERT_2_C Short Inter X...Y Contact Te5 .. O13 .. 3.33 Ang.
| Author Response: see _publ_section_comment .
|
PROBLEM: Short Inter X...Y Contact Te6 .. O33 .. 2.75 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PROBLEM: Short Inter X...Y Contact Te6 .. O31 .. 2.88 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PLAT432_ALERT_2_C Short Inter X...Y Contact Te5 .. O12 .. 3.35 Ang.
| Author Response: see _publ_section_comment .
|
PROBLEM: Short Inter X...Y Contact Te6 .. O33 .. 2.75 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
PROBLEM: Short Inter X...Y Contact Te6 .. O31 .. 2.88 Ang.
RESPONSE: see _publ_section_comment .
see _publ_section_comment .
Alert level G
ABSTM02_ALERT_3_G The ratio of expected to reported Tmax/Tmin(RR) is > 2.00
Tmin and Tmax reported: 0.138 0.381
Tmin and Tmax expected: 0.052 0.331
RR = 2.288
Please check that your absorption correction is appropriate.
REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may
be needed to determine absolute structure
From the CIF: _diffrn_reflns_theta_max 22.97
From the CIF: _reflns_number_total 3277
Count of symmetry unique reflns 3299
Completeness (_total/calc) 99.33%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 0
Fraction of Friedel pairs measured 0.000
Are heavy atom types Z>Si present yes
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
3 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
11 ALERT level C = Check and explain
3 ALERT level G = General alerts; check
5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
10 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
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).
Crystal data top
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 | |
Data collection top
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 top
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) |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | 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)* | |
Atomic displacement parameters (Å2) top | 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 |
Geometric parameters (Å, º) top
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. |
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