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Information card for entry 7045077
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Coordinates | 7045077.cif |
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Original paper (by DOI) | HTML |
Chemical name | Ba(WOF2)(TeO4) |
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Formula | Ba F2 O5 Te W |
Calculated formula | Ba F2 O5 Te W |
Title of publication | A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron. |
Authors of publication | Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 5 |
Pages of publication | 1513 - 1519 |
a | 5.4483 ± 0.0004 Å |
b | 10.0179 ± 0.0007 Å |
c | 12.3134 ± 0.0009 Å |
α | 90° |
β | 115.422 ± 0.006° |
γ | 90° |
Cell volume | 607 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0302 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0549 |
Weighted residual factors for all reflections included in the refinement | 0.0573 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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