Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

IUCr IT WDC

home archive editors for authors for readers submit open access

link to html

On the thermal evolution of the crystal structure of SrTeO₃: the β-form at 473 K

V. E. Zavodnik, S. A. Ivanov and A. I. Stash

As part of a programme to study structural phase transitions in strontium tellurite, SrTeO₃, (STO), the structure of the β-form has been determined at 473 K using single-crystal analysis. Both the structural and non-linear optical measurements indicate an α–β first-order phase-transition temperature that is close to 363 K on heating and 308 K on cooling. The structure of the β-phase is monoclinic (C2/c) and does not differ essentially from the α-phase (C2) configuration. During the α–β phase transition there is a slight rearrangement of the cation building blocks [n-vertex SrO_n polyhedra (n = 6, 7 or 8) and TeO₃ pyramids]; this phase transformation can be described by a displacive mechanism.

Read article Similar articles

Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680701210X/br2032sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S160053680701210X/br2032Isup2.hkl Contains datablock I

checkCIF report

Key indicators

Single-crystal X-ray study
T = 473 K
Mean (e-O) = 0.010 Å
R factor = 0.039
wR factor = 0.086
Data-to-parameter ratio = 36.3

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT432_ALERT_2_A Short Inter X...Y Contact  Te3    ..  O11     ..       2.95 Ang.

Author Response: see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O32     ..       2.79 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O33     ..       2.85 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .

PLAT432_ALERT_2_A Short Inter X...Y Contact  Te6    ..  O32     ..       2.79 Ang.

Author Response: see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O32     ..       2.79 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O33     ..       2.85 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .

PLAT432_ALERT_2_A Short Inter X...Y Contact  Te6    ..  O33     ..       2.85 Ang.

Author Response: see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O32     ..       2.79 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O33     ..       2.85 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .


Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  Te5    ..  O12     ..       3.24 Ang.

Author Response: see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O32     ..       2.79 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O33     ..       2.85 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 =      18.09
            Cell volume su given      =      15.00
GOODF01_ALERT_2_C  The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.720
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
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.92 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Te1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Te2
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Te3
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Te5
PLAT430_ALERT_2_C Short Inter D...A Contact  O32    ..  O61     ..       2.88 Ang.
PLAT430_ALERT_2_C Short Inter D...A Contact  O51    ..  O61     ..       2.89 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact  Te5    ..  O31     ..       3.36 Ang.

Author Response: see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O32     ..       2.79 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O33     ..       2.85 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .

PLAT432_ALERT_2_C Short Inter X...Y Contact  Te6    ..  O33     ..       3.33 Ang.

Author Response: see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O32     ..       2.79 Ang.
 RESPONSE: see _publ_section_comment .
  see _publ_section_comment .

 PROBLEM: Short Inter X...Y Contact  Te6    ..  O33     ..       2.85 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:      0.139     0.386
            Tmin and Tmax expected:      0.054     0.336
            RR =      2.222
            Please check that your absorption correction is appropriate.
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           23.97
           From the CIF: _reflns_number_total               6672
           From the CIF: _diffrn_reflns_limit_ max hkl   36.    8.   36.
           From the CIF: _diffrn_reflns_limit_ min hkl  -36.    0.    0.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   40.    8.   41.
           Calculated minimum hkl  -40.   -8.  -41.

   3 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  17 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  14 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

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.

strontium tellurite top

Crystal data top

SrTeO₃	F(000) = 5472
M_r = 263.22	D_x = 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

Data collection top

Enraf–Nonius CAD-4 with high-temperature device diffractometer	1757 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.090
β-filter monochromator	θ_max = 24.0°, θ_min = 2.1°
ω/2θ scans	h = −36→36
Absorption correction: analytical Alcock, 1970	k = 0→8
T_min = 0.139, T_max = 0.386	l = 0→36
6803 measured reflections	3 standard reflections every 60 min
6672 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)] = 0.039	w = 1/[σ²(F_o²) + (0.0358P)²]
wR(F²) = 0.086	(Δ/σ)_max = 0.001
S = 0.72	Δρ_max = 2.99 e Å⁻³
6672 reflections	Δρ_min = −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)

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	U_iso*/U_eq
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)*

Atomic displacement parameters (Å²) top

	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

Geometric parameters (Å, º) top

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—O52^vi	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—O13^vii	2.597 (9)
Te6—O61	1.869 (6)	Sr5—O51^v	2.603 (9)
Sr1—O63ⁱ	2.460 (9)	Sr5—O52^iv	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—O12^viii	2.440 (12)
Sr1—O32ⁱ	2.879 (11)	Sr6—O31	2.476 (8)
Sr2—O53ⁱⁱⁱ	2.381 (13)	Sr6—O31^vi	2.476 (8)
Sr2—O41ⁱⁱ	2.428 (9)	Sr6—O13^ix	2.552 (10)
Sr2—O43ⁱ	2.505 (9)	Sr6—O13ⁱ	2.552 (10)
Sr2—O52^iv	2.506 (9)	Sr7—O42^x	2.479 (12)
Sr2—O51^v	2.510 (8)	Sr7—O42	2.479 (12)
Sr2—O61	2.832 (7)	Sr7—O23ⁱ	2.709 (11)
Sr2—O53^v	2.932 (14)	Sr7—O23^xi	2.709 (11)
Sr3—O51^vi	2.555 (8)	Sr7—O22ⁱⁱ	2.728 (10)
Sr3—O62ⁱⁱ	2.571 (8)	Sr7—O22^xii	2.728 (10)
Sr3—O41	2.657 (11)	Sr7—O21^xii	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)	O13^vii—Sr5—O31ⁱⁱ	102.1 (3)
O23—Te2—O22	106.1 (5)	O51^v—Sr5—O31ⁱⁱ	146.5 (3)
O23—Te2—O21	96.3 (4)	O52^iv—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)	O13^vii—Sr5—O33ⁱⁱ	151.3 (3)
O42—Te4—O41	90.5 (5)	O51^v—Sr5—O33ⁱⁱ	128.5 (3)
O42—Te4—O43	99.5 (5)	O52^iv—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—O12^viii	180.0 (10)
O63—Te6—O61	92.4 (4)	O12ⁱⁱ—Sr6—O31	89.8 (4)
O63ⁱ—Sr1—O21ⁱⁱ	127.8 (3)	O12^viii—Sr6—O31	90.2 (4)
O63ⁱ—Sr1—O62ⁱⁱ	79.0 (3)	O12ⁱⁱ—Sr6—O31^vi	90.2 (4)
O21ⁱⁱ—Sr1—O62ⁱⁱ	79.0 (3)	O12^viii—Sr6—O31^vi	89.8 (4)
O63ⁱ—Sr1—O11	139.4 (3)	O31—Sr6—O31^vi	180.0 (3)
O21ⁱⁱ—Sr1—O11	85.1 (3)	O12ⁱⁱ—Sr6—O13^ix	90.8 (4)
O62ⁱⁱ—Sr1—O11	136.8 (3)	O12^viii—Sr6—O13^ix	89.2 (4)
O63ⁱ—Sr1—O33ⁱⁱ	120.1 (3)	O31—Sr6—O13^ix	83.4 (3)
O21ⁱⁱ—Sr1—O33ⁱⁱ	98.5 (3)	O31^vi—Sr6—O13^ix	96.6 (3)
O62ⁱⁱ—Sr1—O33ⁱⁱ	74.8 (3)	O12ⁱⁱ—Sr6—O13ⁱ	89.2 (4)
O11—Sr1—O33ⁱⁱ	68.2 (3)	O12^viii—Sr6—O13ⁱ	90.8 (4)
O63ⁱ—Sr1—O23ⁱ	79.8 (3)	O31—Sr6—O13ⁱ	96.6 (3)
O21ⁱⁱ—Sr1—O23ⁱ	74.2 (3)	O31^vi—Sr6—O13ⁱ	83.4 (3)
O62ⁱⁱ—Sr1—O23ⁱ	123.5 (3)	O13^ix—Sr6—O13ⁱ	180.0 (5)
O11—Sr1—O23ⁱ	89.2 (3)	O42^x—Sr7—O42	147.1 (6)
O33ⁱⁱ—Sr1—O23ⁱ	157.0 (3)	O42^x—Sr7—O23ⁱ	87.4 (4)
O63ⁱ—Sr1—O32ⁱ	76.8 (3)	O42—Sr7—O23ⁱ	71.1 (4)
O21ⁱⁱ—Sr1—O32ⁱ	153.9 (3)	O42^x—Sr7—O23^xi	71.1 (4)
O62ⁱⁱ—Sr1—O32ⁱ	118.8 (3)	O42—Sr7—O23^xi	87.4 (4)
O11—Sr1—O32ⁱ	68.9 (3)	O23ⁱ—Sr7—O23^xi	98.6 (5)
O33ⁱⁱ—Sr1—O32ⁱ	70.8 (3)	O42^x—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)	O23^xi—Sr7—O22ⁱⁱ	131.9 (3)
O41ⁱⁱ—Sr2—O43ⁱ	81.7 (3)	O42^x—Sr7—O22^xii	137.0 (3)
O53ⁱⁱⁱ—Sr2—O52^iv	125.7 (4)	O42—Sr7—O22^xii	73.5 (4)
O41ⁱⁱ—Sr2—O52^iv	84.4 (3)	O23ⁱ—Sr7—O22^xii	131.9 (3)
O43ⁱ—Sr2—O52^iv	142.7 (3)	O23^xi—Sr7—O22^xii	111.4 (3)
O53ⁱⁱⁱ—Sr2—O51^v	128.7 (4)	O22ⁱⁱ—Sr7—O22^xii	75.4 (4)
O41ⁱⁱ—Sr2—O51^v	134.0 (3)	O42^x—Sr7—O21^xii	82.6 (3)
O43ⁱ—Sr2—O51^v	85.3 (3)	O42—Sr7—O21^xii	114.8 (3)
O52^iv—Sr2—O51^v	79.8 (3)	O23ⁱ—Sr7—O21^xii	168.1 (3)
O53ⁱⁱⁱ—Sr2—O61	159.6 (3)	O23^xi—Sr7—O21^xii	72.1 (3)
O41ⁱⁱ—Sr2—O61	69.0 (3)	O22ⁱⁱ—Sr7—O21^xii	71.9 (3)
O43ⁱ—Sr2—O61	75.3 (3)	O22^xii—Sr7—O21^xii	59.8 (3)
O52^iv—Sr2—O61	67.5 (3)	O42^x—Sr7—O21ⁱⁱ	114.8 (3)
O51^v—Sr2—O61	65.1 (2)	O42—Sr7—O21ⁱⁱ	82.6 (3)
O53ⁱⁱⁱ—Sr2—O53^v	70.0 (5)	O23ⁱ—Sr7—O21ⁱⁱ	72.1 (3)
O41ⁱⁱ—Sr2—O53^v	160.8 (4)	O23^xi—Sr7—O21ⁱⁱ	168.1 (3)
O43ⁱ—Sr2—O53^v	85.8 (3)	O22ⁱⁱ—Sr7—O21ⁱⁱ	59.8 (3)
O52^iv—Sr2—O53^v	114.1 (3)	O22^xii—Sr7—O21ⁱⁱ	71.9 (3)
O51^v—Sr2—O53^v	58.8 (3)	O21^xii—Sr7—O21ⁱⁱ	118.1 (4)
O61—Sr2—O53^v	121.7 (3)	Te1—O11—Sr1	126.4 (4)
O51^vi—Sr3—O62ⁱⁱ	111.2 (3)	Te1—O11—Sr5	125.0 (4)
O51^vi—Sr3—O41	100.3 (3)	Sr1—O11—Sr5	103.1 (3)
O62ⁱⁱ—Sr3—O41	107.2 (3)	Te1—O12—Sr6ⁱ	136.2 (6)
O51^vi—Sr3—O61ⁱ	120.9 (2)	Te1—O13—Sr6ⁱⁱ	127.9 (4)
O62ⁱⁱ—Sr3—O61ⁱ	127.8 (2)	Te1—O13—Sr5^vii	123.2 (5)
O41—Sr3—O61ⁱ	68.4 (3)	Sr6ⁱⁱ—O13—Sr5^vii	108.9 (3)
O51^vi—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—Sr7^xiii	100.9 (4)
O51^vi—Sr3—O63ⁱ	176.3 (3)	Sr1ⁱ—O21—Sr7^xiii	107.2 (3)
O62ⁱⁱ—Sr3—O63ⁱ	70.6 (2)	Sr4—O21—Sr7^xiii	97.5 (3)
O41—Sr3—O63ⁱ	76.1 (3)	Te2—O22—Sr4ⁱⁱⁱ	148.3 (5)
O61ⁱ—Sr3—O63ⁱ	57.6 (2)	Te2—O22—Sr7^xiii	103.2 (4)
O43—Sr3—O63ⁱ	101.2 (3)	Sr4ⁱⁱⁱ—O22—Sr7^xiii	104.6 (3)
O51^vi—Sr3—O32	73.3 (3)	Te2—O23—Sr7^xiv	127.8 (6)
O62ⁱⁱ—Sr3—O32	75.3 (3)	Te2—O23—Sr1ⁱⁱ	126.6 (5)
O41—Sr3—O32	173.6 (3)	Sr7^xiv—O23—Sr1ⁱⁱ	101.3 (3)
O61ⁱ—Sr3—O32	115.0 (2)	Te2—O23—Sr4	97.5 (4)
O43—Sr3—O32	117.9 (3)	Sr7^xiv—O23—Sr4	100.8 (3)
O63ⁱ—Sr3—O32	110.4 (3)	Sr1ⁱⁱ—O23—Sr4	91.7 (3)
O51^vi—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)
O51^vi—Sr3—O52^vi	59.3 (2)	Sr5ⁱⁱ—O32—Sr3	95.7 (3)
O62ⁱⁱ—Sr3—O52^vi	168.8 (3)	Sr1ⁱⁱ—O32—Sr3	158.0 (4)
O41—Sr3—O52^vi	70.7 (3)	Te3—O33—Sr1ⁱ	103.3 (5)
O61ⁱ—Sr3—O52^vi	62.4 (2)	Te3—O33—Sr5ⁱ	94.0 (4)
O43—Sr3—O52^vi	103.8 (3)	Sr1ⁱ—O33—Sr5ⁱ	93.2 (3)
O63ⁱ—Sr3—O52^vi	118.4 (2)	Te3—O33—Sr3	93.9 (4)
O32—Sr3—O52^vi	105.7 (3)	Sr1ⁱ—O33—Sr3	162.5 (4)
O33—Sr3—O52^vi	88.6 (3)	Sr5ⁱ—O33—Sr3	82.0 (3)
O51^vi—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)
O52^vi—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—Sr2^viii	109.8 (4)
O43ⁱ—Sr4—O42ⁱⁱ	121.7 (3)	Te5—O51—Sr3^vi	108.7 (4)
O63—Sr4—O42ⁱⁱ	89.9 (3)	Sr2^viii—O51—Sr3^vi	102.1 (3)
O21—Sr4—O42ⁱⁱ	124.2 (3)	Te5—O51—Sr5^viii	127.7 (4)
O22ⁱⁱⁱ—Sr4—O41ⁱⁱ	105.3 (3)	Sr2^viii—O51—Sr5^viii	97.4 (3)
O43ⁱ—Sr4—O41ⁱⁱ	74.5 (3)	Sr3^vi—O51—Sr5^viii	107.8 (3)
O63—Sr4—O41ⁱⁱ	79.7 (3)	Te5—O52—Sr2^ix	129.4 (5)
O21—Sr4—O41ⁱⁱ	175.2 (3)	Te5—O52—Sr5^ix	133.6 (5)
O42ⁱⁱ—Sr4—O41ⁱⁱ	56.7 (3)	Sr2^ix—O52—Sr5^ix	96.9 (3)
O22ⁱⁱⁱ—Sr4—O23	87.2 (3)	Te5—O52—Sr3^vi	92.4 (3)
O43ⁱ—Sr4—O23	165.8 (3)	Sr2^ix—O52—Sr3^vi	91.0 (3)
O63—Sr4—O23	77.5 (3)	Sr5^ix—O52—Sr3^vi	88.8 (3)
O21—Sr4—O23	60.6 (3)	Te5—O53—Sr2ⁱⁱⁱ	151.8 (6)
O42ⁱⁱ—Sr4—O23	66.8 (3)	Te5—O53—Sr2^viii	94.8 (5)
O41ⁱⁱ—Sr4—O23	118.4 (3)	Sr2ⁱⁱⁱ—O53—Sr2^viii	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—O13^vii	119.4 (3)	Sr3ⁱⁱ—O61—Sr3ⁱ	169.2 (3)
O61—Sr5—O13^vii	145.5 (3)	Sr2—O61—Sr3ⁱ	80.0 (2)
O32ⁱ—Sr5—O51^v	80.5 (3)	Te6—O62—Sr1ⁱ	132.9 (4)
O61—Sr5—O51^v	67.5 (3)	Te6—O62—Sr3ⁱ	106.8 (3)
O13^vii—Sr5—O51^v	80.1 (3)	Sr1ⁱ—O62—Sr3ⁱ	108.9 (3)
O32ⁱ—Sr5—O52^iv	136.3 (3)	Te6—O62—Sr4	92.0 (3)
O61—Sr5—O52^iv	69.5 (3)	Sr1ⁱ—O62—Sr4	101.1 (3)
O13^vii—Sr5—O52^iv	92.3 (3)	Sr3ⁱ—O62—Sr4	113.2 (3)
O51^v—Sr5—O52^iv	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)
O13^vii—Sr5—O11	92.8 (3)	Te6—O63—Sr3ⁱⁱ	91.7 (3)
O51^v—Sr5—O11	144.4 (3)	Sr1ⁱⁱ—O63—Sr3ⁱⁱ	101.0 (3)
O52^iv—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.

Follow Acta Cryst. E

Sign up for e-alerts

Follow Acta Cryst. on Twitter

Follow us on facebook

Sign up for RSS feeds

Search IUCr Journals		doi		Advanced search
Author		volume	page