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Information card for entry 2002914
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| Coordinates | 2002914.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Cs(0.9)Rb(0.1)TiOAsO4 |
|---|---|
| Formula | As2 Cs1.8 O10 Rb0.16 Ti2 |
| Calculated formula | As2 Cs1.8025 O10 Rb0.15 Ti2 |
| Title of publication | Investigation of the Cs~<i>x~</i>Rb~1{-~<i>x</i>}TiOAsO~4~ Series. II. The Problems of Interpretation of Residual Electron Densities in a Polar Space Group |
| Authors of publication | Thomas, P. A.; Womersley, M. N. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 645 - 651 |
| a | 13.466 ± 0.003 Å |
| b | 6.837 ± 0.0008 Å |
| c | 10.704 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 985.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for all reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Goodness-of-fit parameter for all reflections | 1.123 |
| Goodness-of-fit parameter for significantly intense reflections | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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