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Information card for entry 2242783
Preview
Coordinates | 2242783.cif |
---|---|
Structure factors | 2242783.hkl |
Original paper (by DOI) | HTML |
Chemical name | Dicalcium octaoxidotritellurate(IV) |
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Formula | Ca2 O8 Te3 |
Calculated formula | Ca2 O8 Te3 |
SMILES | [Te]([O-])([O-])(O[Te](=O)[O-])O[Te](=O)[O-].[Te]([O-])([O-])(O[Te](=O)[O-])O[Te](=O)[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Te]([O-])([O-])O[Te]([O-])([O-])O[Te](=O)O[Te]([O-])([O-])O[Te]([O-])([O-])O[Te]([O])=O |
Title of publication | Ca~2~Te~3~O~8~, a new phase in the CaO‒TeO~2~ system |
Authors of publication | Weil, Matthias |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2019 |
Journal volume | 75 |
Journal issue | 1 |
Pages of publication | 26 - 29 |
a | 18.7368 ± 0.0015 Å |
b | 6.8399 ± 0.0006 Å |
c | 18.5652 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2379.3 ± 0.3 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 3 |
Space group number | 63 |
Hermann-Mauguin space group symbol | C m c m |
Hall space group symbol | -C 2c 2 |
Residual factor for all reflections | 0.0298 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for significantly intense reflections | 0.042 |
Weighted residual factors for all reflections included in the refinement | 0.0433 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
212551 (current) | 2018-12-12 | cif/ hkl/ Adding structures of 2242783 via cif-deposit CGI script. |
2242783.cif 2242783.hkl |
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Users of the data should acknowledge the original authors of the
structural data.