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
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (n-O) = 0.004 Å
- R factor = 0.036
- wR factor = 0.078
- Data-to-parameter ratio = 16.7
checkCIF/PLATON results
No syntax errors found
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
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
Zn3TeO6 | F(000) = 2280 |
Mr = 419.71 | Dx = 6.154 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 8104 reflections |
a = 14.8898 (8) Å | θ = 2.7–32.0° |
b = 8.8341 (5) Å | µ = 22.02 mm−1 |
c = 10.3457 (5) Å | T = 293 K |
β = 92.990 (1)° | Lath, colourless |
V = 1359.00 (12) Å3 | 0.18 × 0.05 × 0.04 mm |
Z = 12 | |
Data collection top
Bruker SMART APEX CCD diffractometer | 2326 independent reflections |
Radiation source: fine-focus sealed tube | 2301 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.029 |
ω scans | θmax = 32.0°, θmin = 2.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2002) | h = −21→22 |
Tmin = 0.110, Tmax = 0.473 | k = −13→12 |
10616 measured reflections | l = −15→15 |
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)] = 0.036 | w = 1/[σ2(Fo2) + 46.687P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.078 | (Δ/σ)max < 0.001 |
S = 1.44 | Δρmax = 1.34 e Å−3 |
2326 reflections | Δρmin = −1.70 e Å−3 |
139 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction 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 | x | y | z | Uiso*/Ueq | |
Te1 | 0.16407 (2) | 0.49786 (4) | 0.30415 (3) | 0.00538 (10) | |
Te2 | 0.0000 | 0.0000 | 0.0000 | 0.00529 (11) | |
Zn1 | 0.16274 (5) | 0.26545 (9) | 0.05829 (7) | 0.01223 (16) | |
Zn2 | 0.20357 (5) | 0.13798 (8) | 0.42673 (7) | 0.00906 (15) | |
Zn3 | 0.36213 (5) | 0.36122 (8) | 0.24260 (7) | 0.00943 (15) | |
Zn4 | 0.52649 (5) | 0.14948 (8) | 0.05220 (7) | 0.00868 (14) | |
Zn5 | 0.0000 | 0.20099 (12) | 0.2500 | 0.00887 (19) | |
O1 | 0.0711 (3) | 0.0209 (5) | 0.1573 (4) | 0.0107 (8) | |
O2 | 0.0730 (3) | 0.1630 (5) | 0.4388 (4) | 0.0085 (7) | |
O3 | 0.1007 (3) | 0.3440 (5) | 0.2041 (4) | 0.0092 (8) | |
O4 | 0.2368 (3) | 0.3498 (5) | 0.3977 (4) | 0.0095 (8) | |
O5 | 0.2566 (3) | 0.4805 (5) | 0.1793 (4) | 0.0088 (7) | |
O6 | 0.2755 (3) | 0.1540 (5) | 0.0985 (4) | 0.0104 (8) | |
O7 | 0.3910 (3) | 0.1573 (5) | 0.2988 (4) | 0.0087 (8) | |
O8 | 0.4256 (3) | 0.0027 (5) | 0.0717 (4) | 0.0095 (8) | |
O9 | 0.4288 (3) | 0.3404 (5) | 0.0710 (4) | 0.0091 (8) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Te1 | 0.00539 (16) | 0.00435 (16) | 0.00642 (17) | 0.00006 (11) | 0.00040 (11) | 0.00002 (11) |
Te2 | 0.0055 (2) | 0.0042 (2) | 0.0062 (2) | −0.00010 (15) | 0.00055 (15) | −0.00012 (15) |
Zn1 | 0.0078 (3) | 0.0197 (4) | 0.0093 (3) | 0.0026 (3) | 0.0011 (2) | −0.0028 (3) |
Zn2 | 0.0085 (3) | 0.0080 (3) | 0.0108 (3) | −0.0001 (2) | 0.0005 (2) | −0.0027 (2) |
Zn3 | 0.0105 (3) | 0.0068 (3) | 0.0108 (3) | 0.0016 (2) | −0.0011 (2) | 0.0007 (2) |
Zn4 | 0.0088 (3) | 0.0072 (3) | 0.0099 (3) | −0.0007 (2) | −0.0009 (2) | −0.0005 (2) |
Zn5 | 0.0089 (4) | 0.0087 (4) | 0.0092 (4) | 0.000 | 0.0018 (3) | 0.000 |
O1 | 0.0128 (19) | 0.0097 (19) | 0.0091 (18) | 0.0000 (16) | −0.0033 (15) | −0.0010 (15) |
O2 | 0.0054 (17) | 0.0093 (18) | 0.0108 (18) | −0.0007 (14) | 0.0002 (14) | 0.0008 (15) |
O3 | 0.0081 (18) | 0.0107 (19) | 0.0089 (18) | −0.0021 (15) | 0.0020 (14) | −0.0034 (15) |
O4 | 0.0108 (19) | 0.0054 (17) | 0.0120 (19) | 0.0007 (14) | −0.0011 (15) | 0.0037 (14) |
O5 | 0.0067 (17) | 0.0101 (18) | 0.0099 (18) | −0.0002 (14) | 0.0033 (14) | 0.0025 (15) |
O6 | 0.0102 (19) | 0.0108 (19) | 0.0103 (19) | 0.0026 (15) | 0.0008 (15) | 0.0052 (15) |
O7 | 0.015 (2) | 0.0056 (17) | 0.0053 (17) | −0.0019 (15) | −0.0049 (14) | 0.0009 (13) |
O8 | 0.0114 (19) | 0.0096 (19) | 0.0082 (18) | −0.0019 (15) | 0.0063 (15) | −0.0013 (14) |
O9 | 0.0124 (19) | 0.0056 (17) | 0.0096 (18) | −0.0028 (15) | 0.0031 (15) | 0.0008 (14) |
Geometric parameters (Å, º) top
Te1—O8i | 1.900 (4) | Zn5—O2iv | 2.210 (4) |
Te1—O6i | 1.906 (4) | Zn5—O2 | 2.210 (4) |
Te1—O7i | 1.923 (4) | O1—Zn3viii | 1.986 (5) |
Te1—O3 | 1.925 (4) | O1—Zn2v | 3.470 (5) |
Te1—O4 | 1.927 (4) | O1—Zn4vii | 3.509 (5) |
Te1—O5 | 1.943 (4) | O1—Zn3vii | 3.569 (5) |
Te1—Zn3i | 3.2665 (8) | O1—Zn4vi | 3.868 (5) |
Te1—Zn1 | 3.2681 (8) | O2—Te2iv | 1.931 (4) |
Te1—Zn3 | 3.2794 (8) | O2—Zn4xiii | 2.165 (4) |
Te1—Zn1ii | 3.3602 (9) | O2—Zn3ix | 3.393 (4) |
Te1—Zn2i | 3.4077 (8) | O2—Zn3viii | 3.428 (4) |
Te1—Zn2 | 3.4617 (8) | O2—Zn1iv | 3.626 (4) |
Te2—O1iii | 1.904 (4) | O2—Zn2ix | 3.952 (4) |
Te2—O1 | 1.904 (4) | O3—Zn4vi | 3.178 (4) |
Te2—O2iv | 1.931 (4) | O3—Zn4xiv | 3.285 (5) |
Te2—O2v | 1.931 (4) | O3—Zn4xiii | 3.822 (4) |
Te2—O9vi | 1.932 (4) | O4—Zn2ix | 1.982 (4) |
Te2—O9vii | 1.932 (4) | O4—Zn4xiii | 3.590 (5) |
Te2—Zn5 | 3.1372 (6) | O4—Zn4x | 3.953 (4) |
Te2—Zn5iii | 3.1372 (6) | O4—Zn1ii | 3.965 (5) |
Te2—Zn4vi | 3.1644 (7) | O4—Zn1i | 3.982 (4) |
Te2—Zn4vii | 3.1644 (7) | O5—Zn2i | 1.886 (4) |
Te2—Zn2iv | 3.3894 (7) | O5—Zn1vi | 3.538 (4) |
Te2—Zn2v | 3.3894 (7) | O5—Zn1i | 3.848 (5) |
Zn1—O3 | 1.938 (4) | O5—Zn4xiv | 3.902 (4) |
Zn1—O6 | 1.972 (4) | O5—Zn3i | 3.903 (4) |
Zn1—O6vi | 2.034 (4) | O5—Zn5xv | 4.146 (4) |
Zn1—O9vi | 2.081 (4) | O6—Te1viii | 1.906 (4) |
Zn1—O5 | 2.635 (5) | O6—Zn1vi | 2.034 (4) |
Zn1—O8vi | 2.747 (5) | O6—Zn2v | 3.281 (5) |
Zn2—O5viii | 1.886 (4) | O6—Zn3viii | 3.734 (5) |
Zn2—O4 | 1.963 (4) | O6—Zn3vi | 3.990 (4) |
Zn2—O2 | 1.967 (4) | O7—Zn4x | 1.922 (4) |
Zn2—O4ix | 1.982 (4) | O7—Te1viii | 1.923 (4) |
Zn2—Zn2ix | 2.8123 (14) | O7—Zn2ix | 3.706 (4) |
Zn2—Zn3viii | 3.1345 (10) | O7—Zn1vi | 3.801 (4) |
Zn3—O7 | 1.935 (4) | O7—Zn1viii | 3.864 (4) |
Zn3—O5 | 1.976 (4) | O7—Zn3x | 4.136 (4) |
Zn3—O1i | 1.986 (5) | O8—Te1viii | 1.900 (4) |
Zn3—O9 | 2.087 (4) | O8—Zn4xi | 2.014 (4) |
Zn3—O4 | 2.525 (5) | O8—Zn1vi | 2.747 (5) |
Zn3—O6 | 2.652 (5) | O8—Zn5xvi | 3.395 (5) |
Zn4—O7x | 1.922 (4) | O8—Zn2viii | 3.753 (4) |
Zn4—O8 | 2.003 (4) | O8—Zn2v | 3.769 (5) |
Zn4—O8xi | 2.014 (4) | O8—Zn1xvi | 4.115 (5) |
Zn4—O2xii | 2.165 (4) | O8—Zn4x | 4.128 (4) |
Zn4—O9 | 2.243 (5) | O9—Te2xv | 1.932 (4) |
Zn4—Zn4xi | 2.9453 (14) | O9—Zn1vi | 2.081 (4) |
Zn4—O3vi | 3.178 (4) | O9—Zn2i | 3.286 (5) |
Zn5—O3iv | 2.036 (4) | O9—Zn5vi | 3.557 (4) |
Zn5—O3 | 2.036 (4) | O9—Zn3x | 3.581 (5) |
Zn5—O1iv | 2.162 (5) | O9—Zn5xv | 3.808 (4) |
Zn5—O1 | 2.162 (5) | | |
| | | |
O8i—Te1—O6i | 87.43 (19) | Zn4xiii—O4—Zn1ii | 62.85 (7) |
O8i—Te1—O7i | 93.64 (19) | Zn1—O4—Zn1ii | 119.62 (11) |
O6i—Te1—O7i | 86.46 (19) | Zn4x—O4—Zn1ii | 126.48 (12) |
O8i—Te1—O3 | 92.16 (19) | Te1—O4—Zn1i | 68.24 (12) |
O6i—Te1—O3 | 178.5 (2) | Zn2—O4—Zn1i | 163.33 (19) |
O7i—Te1—O3 | 92.10 (18) | Zn2ix—O4—Zn1i | 72.40 (13) |
O8i—Te1—O4 | 94.14 (19) | Zn3—O4—Zn1i | 75.54 (10) |
O6i—Te1—O4 | 89.34 (19) | Zn4xiii—O4—Zn1i | 106.18 (11) |
O7i—Te1—O4 | 170.98 (19) | Zn1—O4—Zn1i | 112.68 (11) |
O3—Te1—O4 | 92.16 (19) | Zn4x—O4—Zn1i | 94.07 (9) |
O8i—Te1—O5 | 176.70 (19) | Te1—O4—Zn5 | 64.46 (12) |
O6i—Te1—O5 | 94.42 (19) | Zn2—O4—Zn5 | 61.29 (12) |
O7i—Te1—O5 | 89.20 (19) | Zn2ix—O4—Zn5 | 135.48 (18) |
O3—Te1—O5 | 86.06 (18) | Zn3—O4—Zn5 | 115.90 (14) |
O4—Te1—O5 | 83.17 (19) | Zn4xiii—O4—Zn5 | 52.93 (6) |
O1iii—Te2—O1 | 180.0 (4) | Zn4x—O4—Zn5 | 131.79 (12) |
O1iii—Te2—O2iv | 93.19 (19) | Zn1ii—O4—Zn5 | 100.55 (10) |
O1—Te2—O2iv | 86.81 (19) | Zn1i—O4—Zn5 | 131.78 (11) |
O1iii—Te2—O2v | 86.81 (19) | Zn2i—O5—Te1 | 125.7 (2) |
O1—Te2—O2v | 93.19 (19) | Zn2i—O5—Zn3 | 108.5 (2) |
O2iv—Te2—O2v | 180.0 (3) | Te1—O5—Zn3 | 113.6 (2) |
O1iii—Te2—O9vi | 92.17 (19) | Zn2i—O5—Zn1 | 115.5 (2) |
O1—Te2—O9vi | 87.83 (19) | Te1—O5—Zn1 | 89.78 (16) |
O2iv—Te2—O9vi | 84.84 (19) | Zn3—O5—Zn1 | 99.55 (18) |
O2v—Te2—O9vi | 95.16 (19) | Zn2i—O5—Zn1vi | 85.43 (14) |
O1iii—Te2—O9vii | 87.83 (19) | Te1—O5—Zn1vi | 142.07 (19) |
O1—Te2—O9vii | 92.17 (19) | Zn3—O5—Zn1vi | 67.02 (12) |
O2iv—Te2—O9vii | 95.16 (19) | Zn2i—O5—Zn1i | 80.31 (14) |
O2v—Te2—O9vii | 84.84 (19) | Te1—O5—Zn1i | 71.66 (13) |
O9vi—Te2—O9vii | 180.0 (3) | Zn3—O5—Zn1i | 84.33 (14) |
O3—Zn1—O6 | 116.71 (19) | Zn1—O5—Zn1i | 160.89 (15) |
O3—Zn1—O6vi | 138.51 (19) | Zn1vi—O5—Zn1i | 141.91 (13) |
O6—Zn1—O6vi | 85.84 (18) | Zn2i—O5—Zn4xiv | 79.59 (14) |
O3—Zn1—O9vi | 109.81 (18) | Te1—O5—Zn4xiv | 63.48 (12) |
O6—Zn1—O9vi | 115.66 (19) | Zn3—O5—Zn4xiv | 170.14 (19) |
O6vi—Zn1—O9vi | 87.29 (18) | Zn1—O5—Zn4xiv | 71.42 (10) |
O3—Zn1—O5 | 68.54 (16) | Zn1vi—O5—Zn4xiv | 108.96 (11) |
O6—Zn1—O5 | 80.51 (17) | Zn1i—O5—Zn4xiv | 102.94 (10) |
O6vi—Zn1—O5 | 82.89 (16) | Zn2i—O5—Zn3i | 69.18 (13) |
O9vi—Zn1—O5 | 160.47 (16) | Te1—O5—Zn3i | 56.64 (11) |
O3—Zn1—O8vi | 83.05 (16) | Zn3—O5—Zn3i | 138.76 (19) |
O6—Zn1—O8vi | 148.86 (16) | Zn1—O5—Zn3i | 119.01 (14) |
O6vi—Zn1—O8vi | 64.76 (15) | Zn1vi—O5—Zn3i | 147.88 (13) |
O9vi—Zn1—O8vi | 74.92 (15) | Zn1i—O5—Zn3i | 54.44 (6) |
O5—Zn1—O8vi | 85.61 (13) | Zn2i—O5—Zn2 | 172.68 (19) |
O5viii—Zn2—O4 | 121.64 (19) | Te1—O5—Zn2 | 58.18 (11) |
O5viii—Zn2—O2 | 117.50 (19) | Zn3—O5—Zn2 | 64.63 (11) |
O4—Zn2—O2 | 99.25 (19) | Zn1—O5—Zn2 | 69.34 (9) |
O5viii—Zn2—O4ix | 115.69 (19) | Zn1vi—O5—Zn2 | 93.69 (10) |
O4—Zn2—O4ix | 89.06 (18) | Zn1i—O5—Zn2 | 96.10 (9) |
O2—Zn2—O4ix | 109.42 (19) | Zn4xiv—O5—Zn2 | 107.52 (10) |
O7—Zn3—O5 | 139.18 (19) | Zn3i—O5—Zn2 | 113.95 (10) |
O7—Zn3—O1i | 114.06 (18) | Zn2i—O5—Zn5xv | 57.14 (11) |
O5—Zn3—O1i | 99.32 (19) | Te1—O5—Zn5xv | 119.28 (17) |
O7—Zn3—O9 | 93.77 (18) | Zn3—O5—Zn5xv | 61.25 (11) |
O5—Zn3—O9 | 99.80 (18) | Zn1—O5—Zn5xv | 149.24 (15) |
O1i—Zn3—O9 | 105.00 (18) | Zn1vi—O5—Zn5xv | 94.91 (9) |
O7—Zn3—O4 | 86.08 (17) | Zn1i—O5—Zn5xv | 47.96 (5) |
O5—Zn3—O4 | 68.33 (15) | Zn4xiv—O5—Zn5xv | 128.60 (11) |
O1i—Zn3—O4 | 93.64 (17) | Zn3i—O5—Zn5xv | 87.70 (9) |
O9—Zn3—O4 | 159.54 (16) | Zn2—O5—Zn5xv | 115.78 (10) |
O7—Zn3—O6 | 67.67 (15) | Te1viii—O6—Zn1 | 147.8 (3) |
O5—Zn3—O6 | 80.01 (16) | Te1viii—O6—Zn1vi | 117.0 (2) |
O1i—Zn3—O6 | 177.23 (16) | Zn1—O6—Zn1vi | 94.16 (18) |
O9—Zn3—O6 | 72.53 (15) | Te1viii—O6—Zn3 | 90.02 (17) |
O4—Zn3—O6 | 88.63 (14) | Zn1—O6—Zn3 | 99.09 (18) |
O7x—Zn4—O8 | 113.21 (19) | Zn1vi—O6—Zn3 | 88.87 (16) |
O7x—Zn4—O8xi | 107.54 (19) | Te1viii—O6—Zn2v | 81.30 (15) |
O8—Zn4—O8xi | 85.68 (18) | Zn1—O6—Zn2v | 91.59 (16) |
O7x—Zn4—O2xii | 101.44 (18) | Zn1vi—O6—Zn2v | 89.50 (15) |
O8—Zn4—O2xii | 144.38 (18) | Zn3—O6—Zn2v | 169.29 (17) |
O8xi—Zn4—O2xii | 91.83 (17) | Te1viii—O6—Zn2 | 68.30 (12) |
O7x—Zn4—O9 | 107.11 (17) | Zn1—O6—Zn2 | 85.81 (15) |
O8—Zn4—O9 | 89.11 (17) | Zn1vi—O6—Zn2 | 158.6 (2) |
O8xi—Zn4—O9 | 144.13 (18) | Zn3—O6—Zn2 | 70.03 (10) |
O2xii—Zn4—O9 | 72.46 (16) | Zn2v—O6—Zn2 | 111.93 (12) |
O3iv—Zn5—O3 | 103.3 (3) | Te1viii—O6—Zn3viii | 61.36 (12) |
O3iv—Zn5—O1iv | 88.26 (18) | Zn1—O6—Zn3viii | 87.58 (15) |
O3—Zn5—O1iv | 160.63 (17) | Zn1vi—O6—Zn3viii | 151.0 (2) |
O3iv—Zn5—O1 | 160.63 (17) | Zn3—O6—Zn3viii | 119.50 (14) |
O3—Zn5—O1 | 88.26 (18) | Zn2v—O6—Zn3viii | 61.48 (8) |
O1iv—Zn5—O1 | 85.3 (2) | Te1viii—O6—Zn4 | 67.55 (13) |
O3iv—Zn5—O2iv | 88.05 (17) | Zn1—O6—Zn4 | 144.34 (19) |
O3—Zn5—O2iv | 102.85 (17) | Zn1vi—O6—Zn4 | 54.10 (10) |
O1iv—Zn5—O2iv | 92.90 (16) | Zn3—O6—Zn4 | 67.97 (10) |
O1—Zn5—O2iv | 74.09 (16) | Zn2v—O6—Zn4 | 102.67 (12) |
O3iv—Zn5—O2 | 102.85 (17) | Zn2—O6—Zn4 | 117.41 (12) |
O3—Zn5—O2 | 88.05 (17) | Zn3viii—O6—Zn4 | 127.97 (12) |
O1iv—Zn5—O2 | 74.09 (16) | Te1viii—O6—Zn3vi | 130.50 (19) |
O1—Zn5—O2 | 92.90 (16) | Zn1—O6—Zn3vi | 55.79 (11) |
O2iv—Zn5—O2 | 162.5 (2) | Zn1vi—O6—Zn3vi | 62.56 (11) |
Te2—O1—Zn3viii | 128.2 (2) | Zn3—O6—Zn3vi | 137.12 (15) |
Te2—O1—Zn5 | 100.8 (2) | Zn2—O6—Zn3vi | 131.73 (12) |
Zn3viii—O1—Zn5 | 122.3 (2) | Zn3viii—O6—Zn3vi | 95.60 (10) |
Te2—O1—Zn1 | 91.27 (17) | Zn4—O6—Zn3vi | 110.61 (11) |
Zn3viii—O1—Zn1 | 120.1 (2) | Zn4x—O7—Te1viii | 130.9 (2) |
Zn5—O1—Zn1 | 81.53 (14) | Zn4x—O7—Zn3 | 113.4 (2) |
Te2—O1—Zn2v | 71.56 (13) | Te1viii—O7—Zn3 | 115.7 (2) |
Zn3viii—O1—Zn2v | 77.52 (14) | Zn4x—O7—Zn2 | 101.77 (17) |
Zn5—O1—Zn2v | 155.69 (19) | Te1viii—O7—Zn2 | 80.33 (14) |
Zn1—O1—Zn2v | 75.72 (11) | Zn3—O7—Zn2 | 89.37 (16) |
Te2—O1—Zn2 | 168.1 (2) | Zn4x—O7—Zn4 | 103.05 (17) |
Zn3viii—O1—Zn2 | 63.05 (12) | Te1viii—O7—Zn4 | 79.55 (14) |
Zn5—O1—Zn2 | 72.36 (12) | Zn3—O7—Zn4 | 85.59 (14) |
Zn1—O1—Zn2 | 78.23 (11) | Zn2—O7—Zn4 | 154.63 (14) |
Zn2v—O1—Zn2 | 110.57 (13) | Zn4x—O7—Zn2ix | 69.84 (12) |
Te2—O1—Zn4vii | 63.67 (12) | Te1viii—O7—Zn2ix | 127.86 (19) |
Zn3viii—O1—Zn4vii | 65.09 (12) | Zn3—O7—Zn2ix | 71.84 (13) |
Zn5—O1—Zn4vii | 137.40 (19) | Zn4—O7—Zn2ix | 149.93 (13) |
Zn1—O1—Zn4vii | 134.52 (16) | Zn4x—O7—Zn1vi | 151.6 (2) |
Zn2v—O1—Zn4vii | 60.92 (8) | Te1viii—O7—Zn1vi | 62.05 (11) |
Zn2—O1—Zn4vii | 127.96 (13) | Zn3—O7—Zn1vi | 60.56 (11) |
Te2—O1—Zn3vii | 73.74 (14) | Zn2—O7—Zn1vi | 105.76 (11) |
Zn3viii—O1—Zn3vii | 90.55 (16) | Zn4—O7—Zn1vi | 50.59 (6) |
Zn5—O1—Zn3vii | 74.21 (13) | Zn2ix—O7—Zn1vi | 126.02 (12) |
Zn1—O1—Zn3vii | 148.17 (16) | Zn4x—O7—Zn1viii | 78.31 (13) |
Zn2v—O1—Zn3vii | 122.97 (13) | Te1viii—O7—Zn1viii | 57.67 (11) |
Zn2—O1—Zn3vii | 112.57 (12) | Zn3—O7—Zn1viii | 154.4 (2) |
Zn4vii—O1—Zn3vii | 63.49 (8) | Zn2—O7—Zn1viii | 65.53 (8) |
Te2—O1—Zn4vi | 54.41 (11) | Zn4—O7—Zn1viii | 114.82 (12) |
Zn3viii—O1—Zn4vi | 172.0 (2) | Zn2ix—O7—Zn1viii | 92.84 (10) |
Zn5—O1—Zn4vi | 61.08 (11) | Zn1vi—O7—Zn1viii | 119.71 (11) |
Zn1—O1—Zn4vi | 52.09 (8) | Zn4x—O7—Zn3x | 64.16 (12) |
Zn2v—O1—Zn4vi | 97.45 (11) | Te1viii—O7—Zn3x | 128.11 (18) |
Zn2—O1—Zn4vi | 113.90 (12) | Zn3—O7—Zn3x | 75.40 (13) |
Zn4vii—O1—Zn4vi | 118.09 (12) | Zn2—O7—Zn3x | 151.32 (13) |
Zn3vii—O1—Zn4vi | 97.43 (11) | Zn4—O7—Zn3x | 49.71 (6) |
Te2iv—O2—Zn2 | 120.8 (2) | Zn2ix—O7—Zn3x | 104.00 (10) |
Te2iv—O2—Zn4xiii | 101.04 (19) | Zn1vi—O7—Zn3x | 87.95 (9) |
Zn2—O2—Zn4xiii | 117.7 (2) | Zn1viii—O7—Zn3x | 129.24 (11) |
Te2iv—O2—Zn5 | 98.28 (18) | Te1viii—O8—Zn4 | 129.8 (2) |
Zn2—O2—Zn5 | 113.8 (2) | Te1viii—O8—Zn4xi | 134.4 (2) |
Zn4xiii—O2—Zn5 | 101.91 (18) | Zn4—O8—Zn4xi | 94.32 (18) |
Te2iv—O2—Zn3ix | 76.75 (13) | Te1viii—O8—Zn1vi | 90.73 (17) |
Zn2—O2—Zn3ix | 79.75 (13) | Zn4—O8—Zn1vi | 79.08 (14) |
Zn4xiii—O2—Zn3ix | 66.70 (11) | Zn4xi—O8—Zn1vi | 111.26 (18) |
Zn5—O2—Zn3ix | 165.90 (18) | Te1viii—O8—Zn5xvi | 80.55 (14) |
Te2iv—O2—Zn3viii | 77.24 (14) | Zn4—O8—Zn5xvi | 109.73 (18) |
Zn2—O2—Zn3viii | 64.55 (12) | Zn4xi—O8—Zn5xvi | 72.84 (13) |
Zn4xiii—O2—Zn3viii | 177.71 (18) | Zn1vi—O8—Zn5xvi | 170.32 (16) |
Zn5—O2—Zn3viii | 76.94 (12) | Te1viii—O8—Zn2viii | 66.39 (12) |
Zn3ix—O2—Zn3viii | 114.12 (12) | Zn4—O8—Zn2viii | 160.64 (19) |
Te2iv—O2—Zn1iv | 67.78 (12) | Zn4xi—O8—Zn2viii | 68.17 (12) |
Zn2—O2—Zn1iv | 171.4 (2) | Zn1vi—O8—Zn2viii | 114.20 (14) |
Zn4xiii—O2—Zn1iv | 57.82 (10) | Zn5xvi—O8—Zn2viii | 58.41 (7) |
Zn5—O2—Zn1iv | 62.49 (10) | Te1viii—O8—Zn2v | 68.23 (13) |
Zn3ix—O2—Zn1iv | 103.55 (11) | Zn4—O8—Zn2v | 145.13 (19) |
Zn3viii—O2—Zn1iv | 119.95 (12) | Zn4xi—O8—Zn2v | 81.90 (14) |
Te2iv—O2—Zn2ix | 133.97 (18) | Zn1vi—O8—Zn2v | 70.34 (10) |
Zn4xiii—O2—Zn2ix | 75.86 (12) | Zn5xvi—O8—Zn2v | 102.24 (11) |
Zn5—O2—Zn2ix | 127.56 (16) | Te1viii—O8—Zn3 | 60.02 (11) |
Zn3ix—O2—Zn2ix | 59.61 (7) | Zn4—O8—Zn3 | 73.22 (13) |
Zn3viii—O2—Zn2ix | 106.41 (11) | Zn4xi—O8—Zn3 | 164.76 (19) |
Zn1iv—O2—Zn2ix | 133.12 (12) | Zn1vi—O8—Zn3 | 58.56 (8) |
Te1—O3—Zn1 | 115.6 (2) | Zn5xvi—O8—Zn3 | 119.17 (12) |
Te1—O3—Zn5 | 131.2 (2) | Zn2viii—O8—Zn3 | 125.32 (11) |
Zn1—O3—Zn5 | 110.2 (2) | Zn2v—O8—Zn3 | 103.16 (11) |
Te1—O3—Zn4vi | 133.6 (2) | Te1viii—O8—Zn1xvi | 130.20 (19) |
Zn1—O3—Zn4vi | 69.16 (13) | Zn4—O8—Zn1xvi | 71.13 (12) |
Zn5—O3—Zn4vi | 77.96 (13) | Zn1vi—O8—Zn1xvi | 138.84 (14) |
Te1—O3—Zn2 | 79.35 (14) | Zn5xvi—O8—Zn1xvi | 50.35 (6) |
Zn1—O3—Zn2 | 97.18 (17) | Zn2viii—O8—Zn1xvi | 90.20 (9) |
Zn5—O3—Zn2 | 79.23 (14) | Zn2v—O8—Zn1xvi | 123.70 (11) |
Zn4vi—O3—Zn2 | 146.97 (15) | Zn3—O8—Zn1xvi | 132.84 (12) |
Te1—O3—Zn4xiv | 79.66 (14) | Te1viii—O8—Zn4x | 57.53 (11) |
Zn1—O3—Zn4xiv | 94.81 (16) | Zn4—O8—Zn4x | 78.35 (13) |
Zn5—O3—Zn4xiv | 112.81 (17) | Zn4xi—O8—Zn4x | 139.46 (19) |
Zn4vi—O3—Zn4xiv | 54.19 (8) | Zn1vi—O8—Zn4x | 106.39 (12) |
Zn2—O3—Zn4xiv | 158.76 (15) | Zn5xvi—O8—Zn4x | 72.48 (8) |
Te1—O3—Zn4xiii | 68.94 (12) | Zn2viii—O8—Zn4x | 109.21 (10) |
Zn1—O3—Zn4xiii | 155.8 (2) | Zn2v—O8—Zn4x | 125.71 (11) |
Zn5—O3—Zn4xiii | 62.41 (11) | Zn1xvi—O8—Zn4x | 94.89 (10) |
Zn4vi—O3—Zn4xiii | 126.64 (13) | Te2xv—O9—Zn1vi | 116.0 (2) |
Zn2—O3—Zn4xiii | 59.35 (7) | Te2xv—O9—Zn3 | 123.6 (2) |
Zn4xiv—O3—Zn4xiii | 109.38 (12) | Zn1vi—O9—Zn3 | 105.19 (19) |
Te1—O3—Zn3 | 57.22 (11) | Te2xv—O9—Zn4 | 98.30 (19) |
Zn1—O3—Zn3 | 65.13 (12) | Zn1vi—O9—Zn4 | 90.70 (17) |
Zn5—O3—Zn3 | 138.14 (18) | Zn3—O9—Zn4 | 118.6 (2) |
Zn4vi—O3—Zn3 | 129.32 (13) | Te2xv—O9—Zn2i | 76.14 (14) |
Zn2—O3—Zn3 | 61.23 (8) | Zn1vi—O9—Zn2i | 89.52 (15) |
Zn4xiv—O3—Zn3 | 109.05 (12) | Zn3—O9—Zn2i | 67.14 (12) |
Zn4xiii—O3—Zn3 | 103.87 (10) | Zn4—O9—Zn2i | 173.88 (18) |
Te1—O4—Zn2 | 125.7 (2) | Te2xv—O9—Zn5vi | 61.57 (11) |
Te1—O4—Zn2ix | 129.5 (2) | Zn1vi—O9—Zn5vi | 64.59 (11) |
Zn2—O4—Zn2ix | 90.94 (18) | Zn3—O9—Zn5vi | 169.0 (2) |
Te1—O4—Zn3 | 93.91 (17) | Zn4—O9—Zn5vi | 67.38 (11) |
Zn2—O4—Zn3 | 109.63 (19) | Zn2i—O9—Zn5vi | 107.29 (12) |
Zn2ix—O4—Zn3 | 105.66 (18) | Te2xv—O9—Zn3x | 71.82 (13) |
Te1—O4—Zn4xiii | 75.03 (14) | Zn1vi—O9—Zn3x | 153.01 (19) |
Zn2—O4—Zn4xiii | 72.58 (13) | Zn3—O9—Zn3x | 88.61 (14) |
Zn2ix—O4—Zn4xiii | 87.21 (15) | Zn4—O9—Zn3x | 62.31 (11) |
Zn3—O4—Zn4xiii | 166.75 (17) | Zn2i—O9—Zn3x | 117.38 (12) |
Te1—O4—Zn1 | 61.83 (12) | Zn5vi—O9—Zn3x | 102.40 (11) |
Zn2—O4—Zn1 | 83.57 (14) | Te2xv—O9—Zn5xv | 55.24 (11) |
Zn2ix—O4—Zn1 | 167.8 (2) | Zn1vi—O9—Zn5xv | 147.70 (19) |
Zn3—O4—Zn1 | 66.34 (10) | Zn3—O9—Zn5xv | 69.22 (12) |
Zn4xiii—O4—Zn1 | 101.47 (11) | Zn4—O9—Zn5xv | 120.38 (16) |
Te1—O4—Zn4x | 147.54 (19) | Zn2i—O9—Zn5xv | 58.61 (7) |
Zn2—O4—Zn4x | 77.50 (13) | Zn5vi—O9—Zn5xv | 116.81 (11) |
Zn2ix—O4—Zn4x | 63.32 (11) | Zn3x—O9—Zn5xv | 58.85 (7) |
Zn3—O4—Zn4x | 54.43 (8) | Te2xv—O9—Zn1 | 131.98 (18) |
Zn4xiii—O4—Zn4x | 137.31 (12) | Zn3—O9—Zn1 | 61.96 (11) |
Zn1—O4—Zn4x | 104.70 (11) | Zn4—O9—Zn1 | 121.13 (15) |
Te1—O4—Zn1ii | 57.80 (11) | Zn2i—O9—Zn1 | 62.67 (8) |
Zn2—O4—Zn1ii | 132.47 (18) | Zn5vi—O9—Zn1 | 107.13 (11) |
Zn2ix—O4—Zn1ii | 71.97 (13) | Zn3x—O9—Zn1 | 148.81 (13) |
Zn3—O4—Zn1ii | 117.57 (14) | Zn5xv—O9—Zn1 | 113.80 (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, z−1/2; (vi) −x+1/2, −y+1/2, −z; (vii) x−1/2, y−1/2, z; (viii) −x+1/2, y−1/2, −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, z−1/2; (xiii) x−1/2, −y+1/2, z+1/2; (xiv) x−1/2, y+1/2, z; (xv) x+1/2, y+1/2, z; (xvi) x+1/2, y−1/2, z. |