research papers
The structure of Ga2O3(ZnO)6 was determined using single-crystal X-ray diffraction techniques in the space group Cmcm. The metal ion sublattice resembles some of the Zn ions in the wurtzite ZnO structure. The oxygen ion sublattice in Ga2O3(ZnO)6 also resembles some of the O ions in ZnO. Structural relationships between Ga2O3(ZnO)6 and ZnO are discussed, illustrating the process for obtaining the centrosymmetric Ga2O3(ZnO)6 structure from the noncentrosymmetric ZnO. Structures of phases in the homologous series Ga2O3(ZnO)m are predicted on the basis of the structural data for Ga2O3(ZnO)6. The structures of even m are constructed by simply extending the structure units seen in Ga2O3(ZnO)6, while those of odd m consist of structure units which are of different types from those used for even m.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768108021125/kd5022sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768108021125/kd5022Isup2.hkl | |
Portable Document Format (PDF) file https://doi.org/10.1107/S0108768108021125/kd5022sup3.pdf |
Computing details top
Program(s) used to refine structure: (Jana2000; Petricek and Dusek, 2000); software used to prepare material for publication: (Jana2000; Petricek and Dusek, 2000).
(I) top
Crystal data top
Ga2O9Zn6 | F(000) = 2512 |
Mr = 675.7 | Dx = 5.679 Mg m−3 |
Orthorhombic, Cmcm | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -C 2c 2 | Cell parameters from 25 reflections |
a = 3.2465 (9) Å | θ = 12.6–15.7° |
b = 19.640 (5) Å | µ = 24.63 mm−1 |
c = 24.783 (6) Å | T = 298 K |
V = 1580.2 (7) Å3 | Irregular, colorless |
Z = 8 | 0.12 × 0.06 × 0.02 mm |
Data collection top
Rigaku AFC-7R diffractometer | Rint = 0.122 |
Graphite monochromator | θmax = 45.0°, θmin = 2.6° |
ω scans | h = 0→6 |
Absorption correction: ψ scan Absorption correction given as ψ scan | k = 0→38 |
Tmin = 0.18, Tmax = 0.61 | l = −49→49 |
7287 measured reflections | 3 standard reflections every 200 reflections |
3699 independent reflections | intensity decay: 0.0% |
1349 reflections with I > 2σ(I) |
Refinement top
Refinement on F2 | Weighting scheme based on measured s.u.'s w = 1/(σ2(I) + 0.0001I2) |
R[F2 > 2σ(F2)] = 0.045 | (Δ/σ)max = 0.033 |
wR(F2) = 0.101 | Δρmax = 2.32 e Å−3 |
S = 1.05 | Δρmin = −1.93 e Å−3 |
3699 reflections | Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974) |
113 parameters | Extinction coefficient: 0.0078 (3) |
Crystal data top
Ga2O9Zn6 | V = 1580.2 (7) Å3 |
Mr = 675.7 | Z = 8 |
Orthorhombic, Cmcm | Mo Kα radiation |
a = 3.2465 (9) Å | µ = 24.63 mm−1 |
b = 19.640 (5) Å | T = 298 K |
c = 24.783 (6) Å | 0.12 × 0.06 × 0.02 mm |
Data collection top
Rigaku AFC-7R diffractometer | 1349 reflections with I > 2σ(I) |
Absorption correction: ψ scan Absorption correction given as ψ scan | Rint = 0.122 |
Tmin = 0.18, Tmax = 0.61 | 3 standard reflections every 200 reflections |
7287 measured reflections | intensity decay: 0.0% |
3699 independent reflections |
Refinement top
R[F2 > 2σ(F2)] = 0.045 | 113 parameters |
wR(F2) = 0.101 | Δρmax = 2.32 e Å−3 |
S = 1.05 | Δρmin = −1.93 e Å−3 |
3699 reflections |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Zn1 | 0 | 0.00986 (5) | 0.06901 (4) | 0.0121 (2) | |
Zn2 | 0 | 0.13506 (5) | 0.61698 (4) | 0.0102 (2) | |
Zn3 | 0 | 0.12576 (7) | 0.75 | 0.0085 (3) | |
Ga4 | 0 | 0.38720 (4) | 0.00459 (4) | 0.01131 (17) | |
Zn5 | 0 | 0.36650 (5) | 0.62690 (5) | 0.0157 (2) | |
Zn6 | 0 | 0.51297 (4) | 0.68246 (4) | 0.00981 (18) | |
Zn7 | 0 | 0.36488 (12) | 0.75 | 0.0111 (6) | 0.528 (4) |
Zn8 | 0 | 0.10969 (19) | 0.2564 (4) | 0.0311 (19) | 0.236 (2) |
Ga9 | 0 | 0.24094 (4) | 0.05420 (4) | 0.01102 (19) | |
Zn10 | 0 | 0.25526 (5) | 0.18559 (4) | 0.0103 (2) | |
O1 | 0 | 0.4363 (3) | 0.5721 (3) | 0.0163 (13) | |
O2 | 0 | 0.4327 (4) | 0.25 | 0.0105 (16) | |
O3 | 0 | 0.0409 (2) | 0.8579 (2) | 0.0121 (11) | |
O4 | 0 | 0.0698 (3) | 0.5254 (3) | 0.030 (2) | |
O5 | 0.066 (3) | 0.4167 (4) | 0.8083 (3) | 0.025 (2)* | 0.5 |
O6 | 0 | 0.3322 (3) | 0.0831 (2) | 0.0178 (14) | |
O7 | 0 | 0.1990 (4) | 0.25 | 0.020 (2) | |
O8 | 0 | 0.1901 (3) | 0.1255 (2) | 0.0128 (12) | |
O9 | 0 | 0.2979 (2) | 0.5265 (3) | 0.0198 (15) | |
O10 | 0 | 0.1888 (2) | 0.6871 (2) | 0.0094 (12) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0088 (3) | 0.0077 (3) | 0.0199 (4) | 0 | 0 | −0.0049 (3) |
Zn2 | 0.0092 (3) | 0.0079 (3) | 0.0136 (4) | 0 | 0 | 0.0048 (3) |
Zn3 | 0.0079 (5) | 0.0071 (5) | 0.0105 (5) | 0 | 0 | 0 |
Ga4 | 0.0089 (3) | 0.0082 (3) | 0.0168 (4) | 0 | 0 | −0.0041 (3) |
Zn5 | 0.0113 (4) | 0.0076 (3) | 0.0282 (5) | 0 | 0 | 0.0057 (3) |
Zn6 | 0.0111 (3) | 0.0077 (3) | 0.0106 (3) | 0 | 0 | 0.0008 (3) |
Zn7 | 0.0172 (12) | 0.0074 (9) | 0.0086 (9) | 0 | 0 | 0 |
Zn8 | 0.066 (3) | 0.0097 (13) | 0.017 (5) | 0 | 0 | 0.0023 (16) |
Ga9 | 0.0095 (3) | 0.0091 (3) | 0.0144 (3) | 0 | 0 | −0.0042 (3) |
Zn10 | 0.0079 (4) | 0.0087 (3) | 0.0143 (4) | 0 | 0 | −0.0034 (3) |
O1 | 0.017 (2) | 0.012 (2) | 0.020 (2) | 0 | 0 | 0.003 (2) |
O2 | 0.011 (3) | 0.012 (3) | 0.009 (3) | 0 | 0 | 0 |
O3 | 0.013 (2) | 0.0084 (18) | 0.015 (2) | 0 | 0 | −0.0014 (17) |
O4 | 0.011 (2) | 0.026 (3) | 0.054 (5) | 0 | 0 | 0.023 (3) |
O6 | 0.0092 (19) | 0.018 (2) | 0.026 (3) | 0 | 0 | −0.012 (2) |
O7 | 0.027 (4) | 0.014 (3) | 0.019 (4) | 0 | 0 | 0 |
O8 | 0.010 (2) | 0.014 (2) | 0.014 (2) | 0 | 0 | 0.0015 (18) |
O9 | 0.014 (2) | 0.010 (2) | 0.035 (3) | 0 | 0 | 0.014 (2) |
O10 | 0.0075 (19) | 0.0087 (19) | 0.012 (2) | 0 | 0 | 0.0040 (16) |
Geometric parameters (Å, º) top
Zn1—O1i | 1.939 (3) | Zn6—O5xi | 1.916 (8) |
Zn1—O1ii | 1.939 (3) | Zn7—O5 | 1.780 (8) |
Zn1—O3iii | 2.068 (6) | Zn7—O5v | 1.780 (8) |
Zn1—O4iv | 1.901 (7) | Zn7—O5xv | 1.780 (8) |
Zn2—O3v | 1.951 (5) | Zn7—O5xi | 1.780 (8) |
Zn2—O6vi | 1.938 (3) | Zn7—O7viii | 2.051 (5) |
Zn2—O6vii | 1.938 (3) | Zn7—O7ix | 2.051 (5) |
Zn2—O10 | 2.032 (5) | Zn8—O5viii | 2.493 (11) |
Zn3—O2viii | 1.988 (4) | Zn8—O5ix | 2.196 (12) |
Zn3—O2ix | 1.988 (4) | Zn8—O5i | 2.302 (11) |
Zn3—O10 | 1.991 (5) | Zn8—O5ii | 1.977 (11) |
Zn3—O10v | 1.991 (5) | Zn8—O5xvi | 2.196 (12) |
Ga4—O1x | 2.131 (6) | Zn8—O5xvii | 2.493 (11) |
Ga4—O4i | 1.901 (4) | Zn8—O5xviii | 1.977 (11) |
Ga4—O4ii | 1.901 (4) | Zn8—O5xix | 2.302 (11) |
Ga4—O6 | 2.226 (6) | Zn8—O7 | 1.761 (9) |
Ga4—O9x | 1.915 (5) | Ga9—O6 | 1.930 (6) |
Zn5—O1 | 1.930 (6) | Ga9—O8 | 2.030 (6) |
Zn5—O5v | 1.898 (8) | Ga9—O9x | 2.290 (6) |
Zn5—O5xi | 1.898 (8) | Ga9—O9i | 1.921 (3) |
Zn5—O8vi | 1.968 (3) | Ga9—O9ii | 1.921 (3) |
Zn5—O8vii | 1.968 (3) | Zn10—O7 | 1.942 (5) |
Zn6—O2xii | 1.985 (4) | Zn10—O8 | 1.964 (6) |
Zn6—O3xiii | 1.984 (3) | Zn10—O10i | 1.961 (3) |
Zn6—O3xiv | 1.984 (3) | Zn10—O10ii | 1.961 (3) |
Zn6—O5v | 1.916 (8) | ||
O1i—Zn1—O1ii | 113.70 (19) | O5viii—Zn8—O5xvi | 7.6 (3) |
O1i—Zn1—O3iii | 103.2 (2) | O5viii—Zn8—O5xvii | 95.0 (4) |
O1i—Zn1—O4iv | 118.09 (18) | O5viii—Zn8—O5xviii | 80.7 (3) |
O1ii—Zn1—O1i | 113.70 (19) | O5viii—Zn8—O5xix | 154.2 (3) |
O1ii—Zn1—O3iii | 103.2 (2) | O5viii—Zn8—O7 | 98.6 (3) |
O1ii—Zn1—O4iv | 118.09 (18) | O5ix—Zn8—O5viii | 87.4 (5) |
O3iii—Zn1—O4iv | 95.8 (3) | O5ix—Zn8—O5i | 150.0 (4) |
O3v—Zn2—O6vi | 116.95 (16) | O5ix—Zn8—O5ii | 87.4 (3) |
O3v—Zn2—O6vii | 116.95 (16) | O5ix—Zn8—O5xvi | 79.8 (5) |
O3v—Zn2—O10 | 102.6 (2) | O5ix—Zn8—O5xvii | 7.6 (3) |
O6vi—Zn2—O6vii | 113.8 (2) | O5ix—Zn8—O5xviii | 150.4 (4) |
O6vi—Zn2—O10 | 101.41 (19) | O5ix—Zn8—O5xix | 80.9 (3) |
O6vii—Zn2—O6vi | 113.8 (2) | O5ix—Zn8—O7 | 99.8 (4) |
O6vii—Zn2—O10 | 101.41 (19) | O5i—Zn8—O5viii | 74.0 (3) |
O2viii—Zn3—O2ix | 109.5 (2) | O5i—Zn8—O5ix | 150.0 (4) |
O2viii—Zn3—O10 | 111.02 (11) | O5i—Zn8—O5ii | 98.4 (5) |
O2viii—Zn3—O10v | 111.02 (11) | O5i—Zn8—O5xvi | 80.9 (3) |
O2ix—Zn3—O2viii | 109.5 (2) | O5i—Zn8—O5xvii | 154.2 (3) |
O2ix—Zn3—O10 | 111.02 (11) | O5i—Zn8—O5xviii | 7.5 (3) |
O2ix—Zn3—O10v | 111.02 (11) | O5i—Zn8—O5xix | 105.9 (5) |
O10—Zn3—O10v | 103.2 (2) | O5i—Zn8—O7 | 106.0 (3) |
O10v—Zn3—O10 | 103.2 (2) | O5ii—Zn8—O5viii | 152.7 (3) |
O1x—Ga4—O4i | 92.3 (3) | O5ii—Zn8—O5ix | 87.4 (3) |
O1x—Ga4—O4ii | 92.3 (3) | O5ii—Zn8—O5i | 98.4 (5) |
O1x—Ga4—O6 | 177.9 (2) | O5ii—Zn8—O5xvi | 150.4 (4) |
O1x—Ga4—O9x | 93.2 (2) | O5ii—Zn8—O5xvii | 80.7 (3) |
O4i—Ga4—O4ii | 117.3 (3) | O5ii—Zn8—O5xviii | 90.9 (5) |
O4i—Ga4—O6 | 88.8 (3) | O5ii—Zn8—O5xix | 7.5 (3) |
O4i—Ga4—O9x | 121.06 (18) | O5ii—Zn8—O7 | 108.7 (4) |
O4ii—Ga4—O4i | 117.3 (3) | O5xvi—Zn8—O5viii | 7.6 (3) |
O4ii—Ga4—O6 | 88.8 (3) | O5xvi—Zn8—O5ix | 79.8 (5) |
O4ii—Ga4—O9x | 121.06 (18) | O5xvi—Zn8—O5i | 80.9 (3) |
O6—Ga4—O9x | 84.6 (2) | O5xvi—Zn8—O5ii | 150.4 (4) |
O1—Zn5—O5v | 103.1 (3) | O5xvi—Zn8—O5xvii | 87.4 (5) |
O1—Zn5—O5xi | 103.1 (3) | O5xvi—Zn8—O5xviii | 87.4 (3) |
O1—Zn5—O8vi | 112.87 (18) | O5xvi—Zn8—O5xix | 150.0 (4) |
O1—Zn5—O8vii | 112.87 (18) | O5xvi—Zn8—O7 | 99.8 (4) |
O5v—Zn5—O5xi | 13.0 (4) | O5xvii—Zn8—O5viii | 95.0 (4) |
O5v—Zn5—O8vi | 113.7 (3) | O5xvii—Zn8—O5ix | 7.6 (3) |
O5v—Zn5—O8vii | 102.5 (3) | O5xvii—Zn8—O5i | 154.2 (3) |
O5xi—Zn5—O5v | 13.0 (4) | O5xvii—Zn8—O5ii | 80.7 (3) |
O5xi—Zn5—O8vi | 102.5 (3) | O5xvii—Zn8—O5xvi | 87.4 (5) |
O5xi—Zn5—O8vii | 113.7 (3) | O5xvii—Zn8—O5xviii | 152.7 (3) |
O8vi—Zn5—O8vii | 111.17 (18) | O5xvii—Zn8—O5xix | 74.0 (3) |
O8vii—Zn5—O8vi | 111.17 (18) | O5xvii—Zn8—O7 | 98.6 (3) |
O2xii—Zn6—O3xiii | 106.02 (18) | O5xviii—Zn8—O5viii | 80.7 (3) |
O2xii—Zn6—O3xiv | 106.02 (18) | O5xviii—Zn8—O5ix | 150.4 (4) |
O2xii—Zn6—O5v | 115.4 (3) | O5xviii—Zn8—O5i | 7.5 (3) |
O2xii—Zn6—O5xi | 115.4 (3) | O5xviii—Zn8—O5ii | 90.9 (5) |
O3xiii—Zn6—O3xiv | 109.84 (19) | O5xviii—Zn8—O5xvi | 87.4 (3) |
O3xiii—Zn6—O5v | 115.1 (3) | O5xviii—Zn8—O5xvii | 152.7 (3) |
O3xiii—Zn6—O5xi | 104.0 (3) | O5xviii—Zn8—O5xix | 98.4 (5) |
O3xiv—Zn6—O3xiii | 109.84 (19) | O5xviii—Zn8—O7 | 108.7 (4) |
O3xiv—Zn6—O5v | 104.0 (3) | O5xix—Zn8—O5viii | 154.2 (3) |
O3xiv—Zn6—O5xi | 115.1 (3) | O5xix—Zn8—O5ix | 80.9 (3) |
O5v—Zn6—O5xi | 12.8 (4) | O5xix—Zn8—O5i | 105.9 (5) |
O5xi—Zn6—O5v | 12.8 (4) | O5xix—Zn8—O5ii | 7.5 (3) |
O5—Zn7—O5v | 108.4 (4) | O5xix—Zn8—O5xvi | 150.0 (4) |
O5—Zn7—O5xv | 13.8 (5) | O5xix—Zn8—O5xvii | 74.0 (3) |
O5—Zn7—O5xi | 110.2 (4) | O5xix—Zn8—O5xviii | 98.4 (5) |
O5—Zn7—O7viii | 116.4 (3) | O5xix—Zn8—O7 | 106.0 (3) |
O5—Zn7—O7ix | 104.7 (3) | O6—Ga9—O8 | 97.7 (2) |
O5v—Zn7—O5 | 108.4 (4) | O6—Ga9—O9x | 82.6 (2) |
O5v—Zn7—O5xv | 110.2 (4) | O6—Ga9—O9i | 120.11 (14) |
O5v—Zn7—O5xi | 13.8 (5) | O6—Ga9—O9ii | 120.11 (14) |
O5v—Zn7—O7viii | 116.4 (3) | O8—Ga9—O9x | 179.8 (2) |
O5v—Zn7—O7ix | 104.7 (3) | O8—Ga9—O9i | 96.7 (2) |
O5xv—Zn7—O5 | 13.8 (5) | O8—Ga9—O9ii | 96.7 (2) |
O5xv—Zn7—O5v | 110.2 (4) | O9x—Ga9—O9i | 83.2 (2) |
O5xv—Zn7—O5xi | 108.4 (4) | O9x—Ga9—O9ii | 83.2 (2) |
O5xv—Zn7—O7viii | 104.7 (3) | O9i—Ga9—O9x | 83.2 (2) |
O5xv—Zn7—O7ix | 116.4 (3) | O9i—Ga9—O9ii | 115.4 (2) |
O5xi—Zn7—O5 | 110.2 (4) | O9ii—Ga9—O9x | 83.2 (2) |
O5xi—Zn7—O5v | 13.8 (5) | O9ii—Ga9—O9i | 115.4 (2) |
O5xi—Zn7—O5xv | 108.4 (4) | O7—Zn10—O8 | 104.6 (3) |
O5xi—Zn7—O7viii | 104.7 (3) | O7—Zn10—O10i | 107.69 (18) |
O5xi—Zn7—O7ix | 116.4 (3) | O7—Zn10—O10ii | 107.69 (18) |
O7viii—Zn7—O7ix | 104.6 (3) | O8—Zn10—O10i | 112.30 (16) |
O7ix—Zn7—O7viii | 104.6 (3) | O8—Zn10—O10ii | 112.30 (16) |
O5viii—Zn8—O5ix | 87.4 (5) | O10i—Zn10—O10ii | 111.76 (17) |
O5viii—Zn8—O5i | 74.0 (3) | O10ii—Zn10—O10i | 111.76 (17) |
O5viii—Zn8—O5ii | 152.7 (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, −y, −z+1; (iv) −x, −y, z−1/2; (v) x, y, −z+3/2; (vi) −x−1/2, −y+1/2, z+1/2; (vii) −x+1/2, −y+1/2, z+1/2; (viii) −x−1/2, −y+1/2, −z+1; (ix) −x+1/2, −y+1/2, −z+1; (x) x, y, −z+1/2; (xi) −x, y, −z+3/2; (xii) −x, −y+1, −z+1; (xiii) x−1/2, y+1/2, −z+3/2; (xiv) x+1/2, y+1/2, −z+3/2; (xv) −x, y, z; (xvi) x−1/2, −y+1/2, −z+1; (xvii) x+1/2, −y+1/2, −z+1; (xviii) x−1/2, −y+1/2, z−1/2; (xix) x+1/2, −y+1/2, z−1/2. |
Experimental details
Crystal data | |
Chemical formula | Ga2O9Zn6 |
Mr | 675.7 |
Crystal system, space group | Orthorhombic, Cmcm |
Temperature (K) | 298 |
a, b, c (Å) | 3.2465 (9), 19.640 (5), 24.783 (6) |
V (Å3) | 1580.2 (7) |
Z | 8 |
Radiation type | Mo Kα |
µ (mm−1) | 24.63 |
Crystal size (mm) | 0.12 × 0.06 × 0.02 |
Data collection | |
Diffractometer | Rigaku AFC-7R diffractometer |
Absorption correction | ψ scan Absorption correction given as ψ scan |
Tmin, Tmax | 0.18, 0.61 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 7287, 3699, 1349 |
Rint | 0.122 |
(sin θ/λ)max (Å−1) | 0.995 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.045, 0.101, 1.05 |
No. of reflections | 3699 |
No. of parameters | 113 |
No. of restraints | ? |
Δρmax, Δρmin (e Å−3) | 2.32, −1.93 |
Computer programs: (Jana2000; Petricek and Dusek, 2000).
Selected bond lengths (Å) top
Zn1—O1i | 1.939 (3) | Zn6—O5xi | 1.916 (8) |
Zn1—O1ii | 1.939 (3) | Zn7—O5 | 1.780 (8) |
Zn1—O3iii | 2.068 (6) | Zn7—O5v | 1.780 (8) |
Zn1—O4iv | 1.901 (7) | Zn7—O5xv | 1.780 (8) |
Zn2—O3v | 1.951 (5) | Zn7—O5xi | 1.780 (8) |
Zn2—O6vi | 1.938 (3) | Zn7—O7viii | 2.051 (5) |
Zn2—O6vii | 1.938 (3) | Zn7—O7ix | 2.051 (5) |
Zn2—O10 | 2.032 (5) | Zn8—O5viii | 2.493 (11) |
Zn3—O2viii | 1.988 (4) | Zn8—O5ix | 2.196 (12) |
Zn3—O2ix | 1.988 (4) | Zn8—O5i | 2.302 (11) |
Zn3—O10 | 1.991 (5) | Zn8—O5ii | 1.977 (11) |
Zn3—O10v | 1.991 (5) | Zn8—O5xvi | 2.196 (12) |
Ga4—O1x | 2.131 (6) | Zn8—O5xvii | 2.493 (11) |
Ga4—O4i | 1.901 (4) | Zn8—O5xviii | 1.977 (11) |
Ga4—O4ii | 1.901 (4) | Zn8—O5xix | 2.302 (11) |
Ga4—O6 | 2.226 (6) | Zn8—O7 | 1.761 (9) |
Ga4—O9x | 1.915 (5) | Ga9—O6 | 1.930 (6) |
Zn5—O1 | 1.930 (6) | Ga9—O8 | 2.030 (6) |
Zn5—O5v | 1.898 (8) | Ga9—O9x | 2.290 (6) |
Zn5—O5xi | 1.898 (8) | Ga9—O9i | 1.921 (3) |
Zn5—O8vi | 1.968 (3) | Ga9—O9ii | 1.921 (3) |
Zn5—O8vii | 1.968 (3) | Zn10—O7 | 1.942 (5) |
Zn6—O2xii | 1.985 (4) | Zn10—O8 | 1.964 (6) |
Zn6—O3xiii | 1.984 (3) | Zn10—O10i | 1.961 (3) |
Zn6—O3xiv | 1.984 (3) | Zn10—O10ii | 1.961 (3) |
Zn6—O5v | 1.916 (8) |
Symmetry codes: (i) −x−1/2, −y+1/2, z−1/2; (ii) −x+1/2, −y+1/2, z−1/2; (iii) −x, −y, −z+1; (iv) −x, −y, z−1/2; (v) x, y, −z+3/2; (vi) −x−1/2, −y+1/2, z+1/2; (vii) −x+1/2, −y+1/2, z+1/2; (viii) −x−1/2, −y+1/2, −z+1; (ix) −x+1/2, −y+1/2, −z+1; (x) x, y, −z+1/2; (xi) −x, y, −z+3/2; (xii) −x, −y+1, −z+1; (xiii) x−1/2, y+1/2, −z+3/2; (xiv) x+1/2, y+1/2, −z+3/2; (xv) −x, y, z; (xvi) x−1/2, −y+1/2, −z+1; (xvii) x+1/2, −y+1/2, −z+1; (xviii) x−1/2, −y+1/2, z−1/2; (xix) x+1/2, −y+1/2, z−1/2. |