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Single crystals of trizinc(II) hexa­oxotellurate(VI), Zn3TeO6, were grown by chemical transport reactions. The compound crystallizes in the β-Li3VF6 structure type and is isotypic with Co3TeO6. It can be derived from a close packing of strongly distorted oxygen layers in an hhchhc sequence parallel to (100), with two distinct Te atoms in the octa­hedral, four Zn atoms in the octa­hedral and one Zn atom in the tetra­hedral inter­stices. Except for one Te atom and one Zn atom which are located on an inversion centre and on a twofold axis, respectively, all atoms are in general positions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806046861/mg2009sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806046861/mg2009Isup2.hkl
Contains datablock I

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](n-O) = 0.004 Å
  • R factor = 0.036
  • wR factor = 0.078
  • Data-to-parameter ratio = 16.7

checkCIF/PLATON results

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Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.33 Ratio PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.88
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.876 Tmax scaled 0.414 Tmin scaled 0.096 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ATOMS (Dowty, 2004); software used to prepare material for publication: SHELXL97.

Trizinc hexaoxotellurate(VI) top
Crystal data top
Zn3TeO6F(000) = 2280
Mr = 419.71Dx = 6.154 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 8104 reflections
a = 14.8898 (8) Åθ = 2.7–32.0°
b = 8.8341 (5) ŵ = 22.02 mm1
c = 10.3457 (5) ÅT = 293 K
β = 92.990 (1)°Lath, colourless
V = 1359.00 (12) Å30.18 × 0.05 × 0.04 mm
Z = 12
Data collection top
Bruker SMART APEX CCD
diffractometer
2326 independent reflections
Radiation source: fine-focus sealed tube2301 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.029
ω scansθmax = 32.0°, θmin = 2.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 2002)
h = 2122
Tmin = 0.110, Tmax = 0.473k = 1312
10616 measured reflectionsl = 1515
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.036 w = 1/[σ2(Fo2) + 46.687P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.078(Δ/σ)max < 0.001
S = 1.44Δρmax = 1.34 e Å3
2326 reflectionsΔρmin = 1.70 e Å3
139 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraintsExtinction coefficient: 0.00100 (5)
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
xyzUiso*/Ueq
Te10.16407 (2)0.49786 (4)0.30415 (3)0.00538 (10)
Te20.00000.00000.00000.00529 (11)
Zn10.16274 (5)0.26545 (9)0.05829 (7)0.01223 (16)
Zn20.20357 (5)0.13798 (8)0.42673 (7)0.00906 (15)
Zn30.36213 (5)0.36122 (8)0.24260 (7)0.00943 (15)
Zn40.52649 (5)0.14948 (8)0.05220 (7)0.00868 (14)
Zn50.00000.20099 (12)0.25000.00887 (19)
O10.0711 (3)0.0209 (5)0.1573 (4)0.0107 (8)
O20.0730 (3)0.1630 (5)0.4388 (4)0.0085 (7)
O30.1007 (3)0.3440 (5)0.2041 (4)0.0092 (8)
O40.2368 (3)0.3498 (5)0.3977 (4)0.0095 (8)
O50.2566 (3)0.4805 (5)0.1793 (4)0.0088 (7)
O60.2755 (3)0.1540 (5)0.0985 (4)0.0104 (8)
O70.3910 (3)0.1573 (5)0.2988 (4)0.0087 (8)
O80.4256 (3)0.0027 (5)0.0717 (4)0.0095 (8)
O90.4288 (3)0.3404 (5)0.0710 (4)0.0091 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Te10.00539 (16)0.00435 (16)0.00642 (17)0.00006 (11)0.00040 (11)0.00002 (11)
Te20.0055 (2)0.0042 (2)0.0062 (2)0.00010 (15)0.00055 (15)0.00012 (15)
Zn10.0078 (3)0.0197 (4)0.0093 (3)0.0026 (3)0.0011 (2)0.0028 (3)
Zn20.0085 (3)0.0080 (3)0.0108 (3)0.0001 (2)0.0005 (2)0.0027 (2)
Zn30.0105 (3)0.0068 (3)0.0108 (3)0.0016 (2)0.0011 (2)0.0007 (2)
Zn40.0088 (3)0.0072 (3)0.0099 (3)0.0007 (2)0.0009 (2)0.0005 (2)
Zn50.0089 (4)0.0087 (4)0.0092 (4)0.0000.0018 (3)0.000
O10.0128 (19)0.0097 (19)0.0091 (18)0.0000 (16)0.0033 (15)0.0010 (15)
O20.0054 (17)0.0093 (18)0.0108 (18)0.0007 (14)0.0002 (14)0.0008 (15)
O30.0081 (18)0.0107 (19)0.0089 (18)0.0021 (15)0.0020 (14)0.0034 (15)
O40.0108 (19)0.0054 (17)0.0120 (19)0.0007 (14)0.0011 (15)0.0037 (14)
O50.0067 (17)0.0101 (18)0.0099 (18)0.0002 (14)0.0033 (14)0.0025 (15)
O60.0102 (19)0.0108 (19)0.0103 (19)0.0026 (15)0.0008 (15)0.0052 (15)
O70.015 (2)0.0056 (17)0.0053 (17)0.0019 (15)0.0049 (14)0.0009 (13)
O80.0114 (19)0.0096 (19)0.0082 (18)0.0019 (15)0.0063 (15)0.0013 (14)
O90.0124 (19)0.0056 (17)0.0096 (18)0.0028 (15)0.0031 (15)0.0008 (14)
Geometric parameters (Å, º) top
Te1—O8i1.900 (4)Zn5—O2iv2.210 (4)
Te1—O6i1.906 (4)Zn5—O22.210 (4)
Te1—O7i1.923 (4)O1—Zn3viii1.986 (5)
Te1—O31.925 (4)O1—Zn2v3.470 (5)
Te1—O41.927 (4)O1—Zn4vii3.509 (5)
Te1—O51.943 (4)O1—Zn3vii3.569 (5)
Te1—Zn3i3.2665 (8)O1—Zn4vi3.868 (5)
Te1—Zn13.2681 (8)O2—Te2iv1.931 (4)
Te1—Zn33.2794 (8)O2—Zn4xiii2.165 (4)
Te1—Zn1ii3.3602 (9)O2—Zn3ix3.393 (4)
Te1—Zn2i3.4077 (8)O2—Zn3viii3.428 (4)
Te1—Zn23.4617 (8)O2—Zn1iv3.626 (4)
Te2—O1iii1.904 (4)O2—Zn2ix3.952 (4)
Te2—O11.904 (4)O3—Zn4vi3.178 (4)
Te2—O2iv1.931 (4)O3—Zn4xiv3.285 (5)
Te2—O2v1.931 (4)O3—Zn4xiii3.822 (4)
Te2—O9vi1.932 (4)O4—Zn2ix1.982 (4)
Te2—O9vii1.932 (4)O4—Zn4xiii3.590 (5)
Te2—Zn53.1372 (6)O4—Zn4x3.953 (4)
Te2—Zn5iii3.1372 (6)O4—Zn1ii3.965 (5)
Te2—Zn4vi3.1644 (7)O4—Zn1i3.982 (4)
Te2—Zn4vii3.1644 (7)O5—Zn2i1.886 (4)
Te2—Zn2iv3.3894 (7)O5—Zn1vi3.538 (4)
Te2—Zn2v3.3894 (7)O5—Zn1i3.848 (5)
Zn1—O31.938 (4)O5—Zn4xiv3.902 (4)
Zn1—O61.972 (4)O5—Zn3i3.903 (4)
Zn1—O6vi2.034 (4)O5—Zn5xv4.146 (4)
Zn1—O9vi2.081 (4)O6—Te1viii1.906 (4)
Zn1—O52.635 (5)O6—Zn1vi2.034 (4)
Zn1—O8vi2.747 (5)O6—Zn2v3.281 (5)
Zn2—O5viii1.886 (4)O6—Zn3viii3.734 (5)
Zn2—O41.963 (4)O6—Zn3vi3.990 (4)
Zn2—O21.967 (4)O7—Zn4x1.922 (4)
Zn2—O4ix1.982 (4)O7—Te1viii1.923 (4)
Zn2—Zn2ix2.8123 (14)O7—Zn2ix3.706 (4)
Zn2—Zn3viii3.1345 (10)O7—Zn1vi3.801 (4)
Zn3—O71.935 (4)O7—Zn1viii3.864 (4)
Zn3—O51.976 (4)O7—Zn3x4.136 (4)
Zn3—O1i1.986 (5)O8—Te1viii1.900 (4)
Zn3—O92.087 (4)O8—Zn4xi2.014 (4)
Zn3—O42.525 (5)O8—Zn1vi2.747 (5)
Zn3—O62.652 (5)O8—Zn5xvi3.395 (5)
Zn4—O7x1.922 (4)O8—Zn2viii3.753 (4)
Zn4—O82.003 (4)O8—Zn2v3.769 (5)
Zn4—O8xi2.014 (4)O8—Zn1xvi4.115 (5)
Zn4—O2xii2.165 (4)O8—Zn4x4.128 (4)
Zn4—O92.243 (5)O9—Te2xv1.932 (4)
Zn4—Zn4xi2.9453 (14)O9—Zn1vi2.081 (4)
Zn4—O3vi3.178 (4)O9—Zn2i3.286 (5)
Zn5—O3iv2.036 (4)O9—Zn5vi3.557 (4)
Zn5—O32.036 (4)O9—Zn3x3.581 (5)
Zn5—O1iv2.162 (5)O9—Zn5xv3.808 (4)
Zn5—O12.162 (5)
O8i—Te1—O6i87.43 (19)Zn4xiii—O4—Zn1ii62.85 (7)
O8i—Te1—O7i93.64 (19)Zn1—O4—Zn1ii119.62 (11)
O6i—Te1—O7i86.46 (19)Zn4x—O4—Zn1ii126.48 (12)
O8i—Te1—O392.16 (19)Te1—O4—Zn1i68.24 (12)
O6i—Te1—O3178.5 (2)Zn2—O4—Zn1i163.33 (19)
O7i—Te1—O392.10 (18)Zn2ix—O4—Zn1i72.40 (13)
O8i—Te1—O494.14 (19)Zn3—O4—Zn1i75.54 (10)
O6i—Te1—O489.34 (19)Zn4xiii—O4—Zn1i106.18 (11)
O7i—Te1—O4170.98 (19)Zn1—O4—Zn1i112.68 (11)
O3—Te1—O492.16 (19)Zn4x—O4—Zn1i94.07 (9)
O8i—Te1—O5176.70 (19)Te1—O4—Zn564.46 (12)
O6i—Te1—O594.42 (19)Zn2—O4—Zn561.29 (12)
O7i—Te1—O589.20 (19)Zn2ix—O4—Zn5135.48 (18)
O3—Te1—O586.06 (18)Zn3—O4—Zn5115.90 (14)
O4—Te1—O583.17 (19)Zn4xiii—O4—Zn552.93 (6)
O1iii—Te2—O1180.0 (4)Zn4x—O4—Zn5131.79 (12)
O1iii—Te2—O2iv93.19 (19)Zn1ii—O4—Zn5100.55 (10)
O1—Te2—O2iv86.81 (19)Zn1i—O4—Zn5131.78 (11)
O1iii—Te2—O2v86.81 (19)Zn2i—O5—Te1125.7 (2)
O1—Te2—O2v93.19 (19)Zn2i—O5—Zn3108.5 (2)
O2iv—Te2—O2v180.0 (3)Te1—O5—Zn3113.6 (2)
O1iii—Te2—O9vi92.17 (19)Zn2i—O5—Zn1115.5 (2)
O1—Te2—O9vi87.83 (19)Te1—O5—Zn189.78 (16)
O2iv—Te2—O9vi84.84 (19)Zn3—O5—Zn199.55 (18)
O2v—Te2—O9vi95.16 (19)Zn2i—O5—Zn1vi85.43 (14)
O1iii—Te2—O9vii87.83 (19)Te1—O5—Zn1vi142.07 (19)
O1—Te2—O9vii92.17 (19)Zn3—O5—Zn1vi67.02 (12)
O2iv—Te2—O9vii95.16 (19)Zn2i—O5—Zn1i80.31 (14)
O2v—Te2—O9vii84.84 (19)Te1—O5—Zn1i71.66 (13)
O9vi—Te2—O9vii180.0 (3)Zn3—O5—Zn1i84.33 (14)
O3—Zn1—O6116.71 (19)Zn1—O5—Zn1i160.89 (15)
O3—Zn1—O6vi138.51 (19)Zn1vi—O5—Zn1i141.91 (13)
O6—Zn1—O6vi85.84 (18)Zn2i—O5—Zn4xiv79.59 (14)
O3—Zn1—O9vi109.81 (18)Te1—O5—Zn4xiv63.48 (12)
O6—Zn1—O9vi115.66 (19)Zn3—O5—Zn4xiv170.14 (19)
O6vi—Zn1—O9vi87.29 (18)Zn1—O5—Zn4xiv71.42 (10)
O3—Zn1—O568.54 (16)Zn1vi—O5—Zn4xiv108.96 (11)
O6—Zn1—O580.51 (17)Zn1i—O5—Zn4xiv102.94 (10)
O6vi—Zn1—O582.89 (16)Zn2i—O5—Zn3i69.18 (13)
O9vi—Zn1—O5160.47 (16)Te1—O5—Zn3i56.64 (11)
O3—Zn1—O8vi83.05 (16)Zn3—O5—Zn3i138.76 (19)
O6—Zn1—O8vi148.86 (16)Zn1—O5—Zn3i119.01 (14)
O6vi—Zn1—O8vi64.76 (15)Zn1vi—O5—Zn3i147.88 (13)
O9vi—Zn1—O8vi74.92 (15)Zn1i—O5—Zn3i54.44 (6)
O5—Zn1—O8vi85.61 (13)Zn2i—O5—Zn2172.68 (19)
O5viii—Zn2—O4121.64 (19)Te1—O5—Zn258.18 (11)
O5viii—Zn2—O2117.50 (19)Zn3—O5—Zn264.63 (11)
O4—Zn2—O299.25 (19)Zn1—O5—Zn269.34 (9)
O5viii—Zn2—O4ix115.69 (19)Zn1vi—O5—Zn293.69 (10)
O4—Zn2—O4ix89.06 (18)Zn1i—O5—Zn296.10 (9)
O2—Zn2—O4ix109.42 (19)Zn4xiv—O5—Zn2107.52 (10)
O7—Zn3—O5139.18 (19)Zn3i—O5—Zn2113.95 (10)
O7—Zn3—O1i114.06 (18)Zn2i—O5—Zn5xv57.14 (11)
O5—Zn3—O1i99.32 (19)Te1—O5—Zn5xv119.28 (17)
O7—Zn3—O993.77 (18)Zn3—O5—Zn5xv61.25 (11)
O5—Zn3—O999.80 (18)Zn1—O5—Zn5xv149.24 (15)
O1i—Zn3—O9105.00 (18)Zn1vi—O5—Zn5xv94.91 (9)
O7—Zn3—O486.08 (17)Zn1i—O5—Zn5xv47.96 (5)
O5—Zn3—O468.33 (15)Zn4xiv—O5—Zn5xv128.60 (11)
O1i—Zn3—O493.64 (17)Zn3i—O5—Zn5xv87.70 (9)
O9—Zn3—O4159.54 (16)Zn2—O5—Zn5xv115.78 (10)
O7—Zn3—O667.67 (15)Te1viii—O6—Zn1147.8 (3)
O5—Zn3—O680.01 (16)Te1viii—O6—Zn1vi117.0 (2)
O1i—Zn3—O6177.23 (16)Zn1—O6—Zn1vi94.16 (18)
O9—Zn3—O672.53 (15)Te1viii—O6—Zn390.02 (17)
O4—Zn3—O688.63 (14)Zn1—O6—Zn399.09 (18)
O7x—Zn4—O8113.21 (19)Zn1vi—O6—Zn388.87 (16)
O7x—Zn4—O8xi107.54 (19)Te1viii—O6—Zn2v81.30 (15)
O8—Zn4—O8xi85.68 (18)Zn1—O6—Zn2v91.59 (16)
O7x—Zn4—O2xii101.44 (18)Zn1vi—O6—Zn2v89.50 (15)
O8—Zn4—O2xii144.38 (18)Zn3—O6—Zn2v169.29 (17)
O8xi—Zn4—O2xii91.83 (17)Te1viii—O6—Zn268.30 (12)
O7x—Zn4—O9107.11 (17)Zn1—O6—Zn285.81 (15)
O8—Zn4—O989.11 (17)Zn1vi—O6—Zn2158.6 (2)
O8xi—Zn4—O9144.13 (18)Zn3—O6—Zn270.03 (10)
O2xii—Zn4—O972.46 (16)Zn2v—O6—Zn2111.93 (12)
O3iv—Zn5—O3103.3 (3)Te1viii—O6—Zn3viii61.36 (12)
O3iv—Zn5—O1iv88.26 (18)Zn1—O6—Zn3viii87.58 (15)
O3—Zn5—O1iv160.63 (17)Zn1vi—O6—Zn3viii151.0 (2)
O3iv—Zn5—O1160.63 (17)Zn3—O6—Zn3viii119.50 (14)
O3—Zn5—O188.26 (18)Zn2v—O6—Zn3viii61.48 (8)
O1iv—Zn5—O185.3 (2)Te1viii—O6—Zn467.55 (13)
O3iv—Zn5—O2iv88.05 (17)Zn1—O6—Zn4144.34 (19)
O3—Zn5—O2iv102.85 (17)Zn1vi—O6—Zn454.10 (10)
O1iv—Zn5—O2iv92.90 (16)Zn3—O6—Zn467.97 (10)
O1—Zn5—O2iv74.09 (16)Zn2v—O6—Zn4102.67 (12)
O3iv—Zn5—O2102.85 (17)Zn2—O6—Zn4117.41 (12)
O3—Zn5—O288.05 (17)Zn3viii—O6—Zn4127.97 (12)
O1iv—Zn5—O274.09 (16)Te1viii—O6—Zn3vi130.50 (19)
O1—Zn5—O292.90 (16)Zn1—O6—Zn3vi55.79 (11)
O2iv—Zn5—O2162.5 (2)Zn1vi—O6—Zn3vi62.56 (11)
Te2—O1—Zn3viii128.2 (2)Zn3—O6—Zn3vi137.12 (15)
Te2—O1—Zn5100.8 (2)Zn2—O6—Zn3vi131.73 (12)
Zn3viii—O1—Zn5122.3 (2)Zn3viii—O6—Zn3vi95.60 (10)
Te2—O1—Zn191.27 (17)Zn4—O6—Zn3vi110.61 (11)
Zn3viii—O1—Zn1120.1 (2)Zn4x—O7—Te1viii130.9 (2)
Zn5—O1—Zn181.53 (14)Zn4x—O7—Zn3113.4 (2)
Te2—O1—Zn2v71.56 (13)Te1viii—O7—Zn3115.7 (2)
Zn3viii—O1—Zn2v77.52 (14)Zn4x—O7—Zn2101.77 (17)
Zn5—O1—Zn2v155.69 (19)Te1viii—O7—Zn280.33 (14)
Zn1—O1—Zn2v75.72 (11)Zn3—O7—Zn289.37 (16)
Te2—O1—Zn2168.1 (2)Zn4x—O7—Zn4103.05 (17)
Zn3viii—O1—Zn263.05 (12)Te1viii—O7—Zn479.55 (14)
Zn5—O1—Zn272.36 (12)Zn3—O7—Zn485.59 (14)
Zn1—O1—Zn278.23 (11)Zn2—O7—Zn4154.63 (14)
Zn2v—O1—Zn2110.57 (13)Zn4x—O7—Zn2ix69.84 (12)
Te2—O1—Zn4vii63.67 (12)Te1viii—O7—Zn2ix127.86 (19)
Zn3viii—O1—Zn4vii65.09 (12)Zn3—O7—Zn2ix71.84 (13)
Zn5—O1—Zn4vii137.40 (19)Zn4—O7—Zn2ix149.93 (13)
Zn1—O1—Zn4vii134.52 (16)Zn4x—O7—Zn1vi151.6 (2)
Zn2v—O1—Zn4vii60.92 (8)Te1viii—O7—Zn1vi62.05 (11)
Zn2—O1—Zn4vii127.96 (13)Zn3—O7—Zn1vi60.56 (11)
Te2—O1—Zn3vii73.74 (14)Zn2—O7—Zn1vi105.76 (11)
Zn3viii—O1—Zn3vii90.55 (16)Zn4—O7—Zn1vi50.59 (6)
Zn5—O1—Zn3vii74.21 (13)Zn2ix—O7—Zn1vi126.02 (12)
Zn1—O1—Zn3vii148.17 (16)Zn4x—O7—Zn1viii78.31 (13)
Zn2v—O1—Zn3vii122.97 (13)Te1viii—O7—Zn1viii57.67 (11)
Zn2—O1—Zn3vii112.57 (12)Zn3—O7—Zn1viii154.4 (2)
Zn4vii—O1—Zn3vii63.49 (8)Zn2—O7—Zn1viii65.53 (8)
Te2—O1—Zn4vi54.41 (11)Zn4—O7—Zn1viii114.82 (12)
Zn3viii—O1—Zn4vi172.0 (2)Zn2ix—O7—Zn1viii92.84 (10)
Zn5—O1—Zn4vi61.08 (11)Zn1vi—O7—Zn1viii119.71 (11)
Zn1—O1—Zn4vi52.09 (8)Zn4x—O7—Zn3x64.16 (12)
Zn2v—O1—Zn4vi97.45 (11)Te1viii—O7—Zn3x128.11 (18)
Zn2—O1—Zn4vi113.90 (12)Zn3—O7—Zn3x75.40 (13)
Zn4vii—O1—Zn4vi118.09 (12)Zn2—O7—Zn3x151.32 (13)
Zn3vii—O1—Zn4vi97.43 (11)Zn4—O7—Zn3x49.71 (6)
Te2iv—O2—Zn2120.8 (2)Zn2ix—O7—Zn3x104.00 (10)
Te2iv—O2—Zn4xiii101.04 (19)Zn1vi—O7—Zn3x87.95 (9)
Zn2—O2—Zn4xiii117.7 (2)Zn1viii—O7—Zn3x129.24 (11)
Te2iv—O2—Zn598.28 (18)Te1viii—O8—Zn4129.8 (2)
Zn2—O2—Zn5113.8 (2)Te1viii—O8—Zn4xi134.4 (2)
Zn4xiii—O2—Zn5101.91 (18)Zn4—O8—Zn4xi94.32 (18)
Te2iv—O2—Zn3ix76.75 (13)Te1viii—O8—Zn1vi90.73 (17)
Zn2—O2—Zn3ix79.75 (13)Zn4—O8—Zn1vi79.08 (14)
Zn4xiii—O2—Zn3ix66.70 (11)Zn4xi—O8—Zn1vi111.26 (18)
Zn5—O2—Zn3ix165.90 (18)Te1viii—O8—Zn5xvi80.55 (14)
Te2iv—O2—Zn3viii77.24 (14)Zn4—O8—Zn5xvi109.73 (18)
Zn2—O2—Zn3viii64.55 (12)Zn4xi—O8—Zn5xvi72.84 (13)
Zn4xiii—O2—Zn3viii177.71 (18)Zn1vi—O8—Zn5xvi170.32 (16)
Zn5—O2—Zn3viii76.94 (12)Te1viii—O8—Zn2viii66.39 (12)
Zn3ix—O2—Zn3viii114.12 (12)Zn4—O8—Zn2viii160.64 (19)
Te2iv—O2—Zn1iv67.78 (12)Zn4xi—O8—Zn2viii68.17 (12)
Zn2—O2—Zn1iv171.4 (2)Zn1vi—O8—Zn2viii114.20 (14)
Zn4xiii—O2—Zn1iv57.82 (10)Zn5xvi—O8—Zn2viii58.41 (7)
Zn5—O2—Zn1iv62.49 (10)Te1viii—O8—Zn2v68.23 (13)
Zn3ix—O2—Zn1iv103.55 (11)Zn4—O8—Zn2v145.13 (19)
Zn3viii—O2—Zn1iv119.95 (12)Zn4xi—O8—Zn2v81.90 (14)
Te2iv—O2—Zn2ix133.97 (18)Zn1vi—O8—Zn2v70.34 (10)
Zn4xiii—O2—Zn2ix75.86 (12)Zn5xvi—O8—Zn2v102.24 (11)
Zn5—O2—Zn2ix127.56 (16)Te1viii—O8—Zn360.02 (11)
Zn3ix—O2—Zn2ix59.61 (7)Zn4—O8—Zn373.22 (13)
Zn3viii—O2—Zn2ix106.41 (11)Zn4xi—O8—Zn3164.76 (19)
Zn1iv—O2—Zn2ix133.12 (12)Zn1vi—O8—Zn358.56 (8)
Te1—O3—Zn1115.6 (2)Zn5xvi—O8—Zn3119.17 (12)
Te1—O3—Zn5131.2 (2)Zn2viii—O8—Zn3125.32 (11)
Zn1—O3—Zn5110.2 (2)Zn2v—O8—Zn3103.16 (11)
Te1—O3—Zn4vi133.6 (2)Te1viii—O8—Zn1xvi130.20 (19)
Zn1—O3—Zn4vi69.16 (13)Zn4—O8—Zn1xvi71.13 (12)
Zn5—O3—Zn4vi77.96 (13)Zn1vi—O8—Zn1xvi138.84 (14)
Te1—O3—Zn279.35 (14)Zn5xvi—O8—Zn1xvi50.35 (6)
Zn1—O3—Zn297.18 (17)Zn2viii—O8—Zn1xvi90.20 (9)
Zn5—O3—Zn279.23 (14)Zn2v—O8—Zn1xvi123.70 (11)
Zn4vi—O3—Zn2146.97 (15)Zn3—O8—Zn1xvi132.84 (12)
Te1—O3—Zn4xiv79.66 (14)Te1viii—O8—Zn4x57.53 (11)
Zn1—O3—Zn4xiv94.81 (16)Zn4—O8—Zn4x78.35 (13)
Zn5—O3—Zn4xiv112.81 (17)Zn4xi—O8—Zn4x139.46 (19)
Zn4vi—O3—Zn4xiv54.19 (8)Zn1vi—O8—Zn4x106.39 (12)
Zn2—O3—Zn4xiv158.76 (15)Zn5xvi—O8—Zn4x72.48 (8)
Te1—O3—Zn4xiii68.94 (12)Zn2viii—O8—Zn4x109.21 (10)
Zn1—O3—Zn4xiii155.8 (2)Zn2v—O8—Zn4x125.71 (11)
Zn5—O3—Zn4xiii62.41 (11)Zn1xvi—O8—Zn4x94.89 (10)
Zn4vi—O3—Zn4xiii126.64 (13)Te2xv—O9—Zn1vi116.0 (2)
Zn2—O3—Zn4xiii59.35 (7)Te2xv—O9—Zn3123.6 (2)
Zn4xiv—O3—Zn4xiii109.38 (12)Zn1vi—O9—Zn3105.19 (19)
Te1—O3—Zn357.22 (11)Te2xv—O9—Zn498.30 (19)
Zn1—O3—Zn365.13 (12)Zn1vi—O9—Zn490.70 (17)
Zn5—O3—Zn3138.14 (18)Zn3—O9—Zn4118.6 (2)
Zn4vi—O3—Zn3129.32 (13)Te2xv—O9—Zn2i76.14 (14)
Zn2—O3—Zn361.23 (8)Zn1vi—O9—Zn2i89.52 (15)
Zn4xiv—O3—Zn3109.05 (12)Zn3—O9—Zn2i67.14 (12)
Zn4xiii—O3—Zn3103.87 (10)Zn4—O9—Zn2i173.88 (18)
Te1—O4—Zn2125.7 (2)Te2xv—O9—Zn5vi61.57 (11)
Te1—O4—Zn2ix129.5 (2)Zn1vi—O9—Zn5vi64.59 (11)
Zn2—O4—Zn2ix90.94 (18)Zn3—O9—Zn5vi169.0 (2)
Te1—O4—Zn393.91 (17)Zn4—O9—Zn5vi67.38 (11)
Zn2—O4—Zn3109.63 (19)Zn2i—O9—Zn5vi107.29 (12)
Zn2ix—O4—Zn3105.66 (18)Te2xv—O9—Zn3x71.82 (13)
Te1—O4—Zn4xiii75.03 (14)Zn1vi—O9—Zn3x153.01 (19)
Zn2—O4—Zn4xiii72.58 (13)Zn3—O9—Zn3x88.61 (14)
Zn2ix—O4—Zn4xiii87.21 (15)Zn4—O9—Zn3x62.31 (11)
Zn3—O4—Zn4xiii166.75 (17)Zn2i—O9—Zn3x117.38 (12)
Te1—O4—Zn161.83 (12)Zn5vi—O9—Zn3x102.40 (11)
Zn2—O4—Zn183.57 (14)Te2xv—O9—Zn5xv55.24 (11)
Zn2ix—O4—Zn1167.8 (2)Zn1vi—O9—Zn5xv147.70 (19)
Zn3—O4—Zn166.34 (10)Zn3—O9—Zn5xv69.22 (12)
Zn4xiii—O4—Zn1101.47 (11)Zn4—O9—Zn5xv120.38 (16)
Te1—O4—Zn4x147.54 (19)Zn2i—O9—Zn5xv58.61 (7)
Zn2—O4—Zn4x77.50 (13)Zn5vi—O9—Zn5xv116.81 (11)
Zn2ix—O4—Zn4x63.32 (11)Zn3x—O9—Zn5xv58.85 (7)
Zn3—O4—Zn4x54.43 (8)Te2xv—O9—Zn1131.98 (18)
Zn4xiii—O4—Zn4x137.31 (12)Zn3—O9—Zn161.96 (11)
Zn1—O4—Zn4x104.70 (11)Zn4—O9—Zn1121.13 (15)
Te1—O4—Zn1ii57.80 (11)Zn2i—O9—Zn162.67 (8)
Zn2—O4—Zn1ii132.47 (18)Zn5vi—O9—Zn1107.13 (11)
Zn2ix—O4—Zn1ii71.97 (13)Zn3x—O9—Zn1148.81 (13)
Zn3—O4—Zn1ii117.57 (14)Zn5xv—O9—Zn1113.80 (11)
Symmetry codes: (i) x+1/2, y+1/2, z+1/2; (ii) x, y+1, z+1/2; (iii) x, y, z; (iv) x, y, z+1/2; (v) x, y, z1/2; (vi) x+1/2, y+1/2, z; (vii) x1/2, y1/2, z; (viii) x+1/2, y1/2, z+1/2; (ix) x+1/2, y+1/2, z+1; (x) x+1, y, z+1/2; (xi) x+1, y, z; (xii) x+1/2, y+1/2, z1/2; (xiii) x1/2, y+1/2, z+1/2; (xiv) x1/2, y+1/2, z; (xv) x+1/2, y+1/2, z; (xvi) x+1/2, y1/2, z.
 

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