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Information card for entry 7063563
Preview
| Coordinates | 7063563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | phosphate |
|---|---|
| Chemical name | potassium scandium phosphate hydrated |
| Formula | K0.5 O4 P Sc0.5 |
| Calculated formula | K0.5 O4 P Sc0.5 |
| Title of publication | Hydrated and fluorinated potassium scandium phosphates: topology symmetry analysis and structure prediction |
| Authors of publication | Topnikova, Anastasia P.; Belokoneva, Elena L.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Viktor V.; Zorina, Leokadiya V. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| Journal volume | 48 |
| Journal issue | 48 |
| Pages of publication | 20375 - 20383 |
| a | 14.5271 ± 0.0006 Å |
| b | 8.4948 ± 0.0003 Å |
| c | 5.4375 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 671.01 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n a m |
| Hall space group symbol | -P 2c 2n |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297130 (current) | 2025-01-06 | cif/ Updating files of 7063562, 7063563, 7063564 Original log message: Adding full bibliography for 7063562--7063564.cif. |
7063563.cif |
| 296139 | 2024-11-28 | cif/ Adding structures of 7063562, 7063563, 7063564 via cif-deposit CGI script. |
7063563.cif |
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Users of the data should acknowledge the original authors of the
structural data.