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Information card for entry 1559807
Preview
| Coordinates | 1559807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Kaatialaite |
|---|---|
| Formula | As3 Fe H16 O17 |
| Calculated formula | As3 Fe H16 O17 |
| Title of publication | Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction |
| Authors of publication | Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub |
| Journal of publication | IUCrJ |
| Year of publication | 2021 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 116 - 123 |
| a | 15.4357 Å |
| b | 20.01 Å |
| c | 4.7994 Å |
| α | 90° |
| β | 91.728° |
| γ | 90° |
| Cell volume | 1481.71 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.4453 |
| Residual factor for significantly intense reflections | 0.1082 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for significantly intense reflections | 0 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.27 |
| Diffraction radiation probe | electron |
| Diffraction radiation wavelength | 0.0251 Å |
| Diffraction radiation type | electron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261804 (current) | 2021-02-05 | cif/ Updating files of 1559807 Original log message: Adding full bibliography for 1559807.cif. |
1559807.cif |
| 259937 | 2020-12-17 | cif/ Adding structures of 1559807 via cif-deposit CGI script. |
1559807.cif |
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