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Information card for entry 2242312
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| Coordinates | 2242312.cif |
|---|---|
| Structure factors | 2242312.hkl |
| Original IUCr paper | HTML |
| Chemical name | Potassium sodium copper(II) diphosphate(V) |
|---|---|
| Formula | Cu K Na O7 P2 |
| Calculated formula | Cu K Na O7 P2 |
| Title of publication | Crystal structure of KNaCuP~2~O~7~, a new member of the diphosphate family |
| Authors of publication | Fitouri, Ines; Boughzala, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| Pages of publication | 109 - 112 |
| a | 5.176 ± 0.003 Å |
| b | 13.972 ± 0.005 Å |
| c | 9.067 ± 0.003 Å |
| α | 90° |
| β | 91.34 ± 0.02° |
| γ | 90° |
| Cell volume | 655.5 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0241 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0576 |
| Weighted residual factors for all reflections included in the refinement | 0.0592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205165 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 2242312 via cif-deposit CGI script. |
2242312.cif 2242312.hkl |
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Users of the data should acknowledge the original authors of the
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