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Information card for entry 2311579
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Coordinates | 2311579.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Dibarium calcium hexaoxidotellurate |
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Formula | Ba2 Ca O6 Te |
Calculated formula | Ba2 Ca O6 Te |
SMILES | [Ba+2].[Ca+2].[Ba+2].[O-][Te]([O-])([O-])([O-])([O-])[O-] |
Title of publication | Crystal structures of the triple perovskites Ba<sub>2</sub>K<sub>2</sub>Te<sub>2</sub>O<sub>9</sub> and Ba<sub>2</sub>KNaTe<sub>2</sub>O<sub>9</sub>, and redetermination of the double perovskite Ba<sub>2</sub>CaTeO<sub>6</sub>. |
Authors of publication | Weil, Matthias |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | Pt 7 |
Pages of publication | 1006 - 1009 |
a | 8.3536 ± 0.0014 Å |
b | 8.3536 ± 0.0014 Å |
c | 8.3536 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 582.94 ± 0.17 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 225 |
Hermann-Mauguin space group symbol | F m -3 m |
Hall space group symbol | -F 4 2 3 |
Residual factor for all reflections | 0.0194 |
Residual factor for significantly intense reflections | 0.0194 |
Weighted residual factors for significantly intense reflections | 0.0486 |
Weighted residual factors for all reflections included in the refinement | 0.0486 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.325 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2311579.html
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