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Information card for entry 2022935
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| Coordinates | 2022935.cif |
|---|---|
| Structure factors | 2022935.hkl |
| Original IUCr paper | HTML |
| Chemical name | Calcium hexafluoridosilicate dihydrate |
|---|---|
| Formula | Ca F6 H4 O2 Si |
| Calculated formula | Ca F6 H4 O2 Si |
| Title of publication | Crystal structure of CaSiF6·2H2O(mP2) and reevaluation of the SiIV–F bond-valence parameter R 0 |
| Authors of publication | Motaln, Klemen; Lozinšek, Matic |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 12 |
| Pages of publication | 1121 - 1126 |
| a | 5.96605 ± 0.00017 Å |
| b | 5.13977 ± 0.00012 Å |
| c | 9.9308 ± 0.0003 Å |
| α | 90° |
| β | 107.275 ± 0.003° |
| γ | 90° |
| Cell volume | 290.783 ± 0.015 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288944 (current) | 2024-01-07 | cif/ Updating files of 2022935 Original log message: Adding full bibliography for 2022935.cif. |
2022935.cif 2022935.hkl |
| 287248 | 2023-11-03 | cif/ hkl/ Adding structures of 2022935 via cif-deposit CGI script. |
2022935.cif 2022935.hkl |
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Users of the data should acknowledge the original authors of the
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