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Information card for entry 1570708
Preview
| Coordinates | 1570708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | K Na O4 S |
|---|---|
| Calculated formula | K Na O3.9999 S |
| Title of publication | Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions |
| Authors of publication | Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav |
| Journal of publication | Crystals |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 1 |
| Pages of publication | 27 |
| a | 5.669 ± 0.005 Å |
| b | 5.669 ± 0.005 Å |
| c | 7.75 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 215.7 ± 0.3 Å3 |
| Cell temperature | 773 ± 0.6 K |
| Ambient diffraction temperature | 773 K |
| Number of distinct elements | 4 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.1185 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.0665 |
| Goodness-of-fit parameter for significantly intense reflections | 2.74 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.74 |
| 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 |
|---|---|---|---|
| 288917 (current) | 2024-01-06 | cif/ Adding structures of 1570708 via cif-deposit CGI script. |
1570708.cif |
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Users of the data should acknowledge the original authors of the
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