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Information card for entry 2108014
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| Coordinates | 2108014.cif |
|---|---|
| Structure factors | 2108014.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | rubidium hydrogensulfate |
|---|---|
| Formula | H O4 Rb S |
| Calculated formula | H O4 Rb S |
| SMILES | [Rb+].[O-]S(=O)(=O)O |
| Title of publication | Neutron and high-pressure X-ray diffraction study of hydrogen-bonded ferroelectric rubidium hydrogen sulfate |
| Authors of publication | Binns, Jack; McIntyre, Garry J.; Parsons, Simon |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 6 |
| Pages of publication | 855 - 863 |
| a | 14.3602 ± 0.0019 Å |
| b | 4.6156 ± 0.0006 Å |
| c | 14.413 ± 0.002 Å |
| α | 90° |
| β | 118.069 ± 0.008° |
| γ | 90° |
| Cell volume | 842.9 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0886 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for all reflections | 0.1444 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9998 |
| Diffraction radiation wavelength | 0.85 Å |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188820 (current) | 2016-12-02 | cif/ hkl/ Adding structures of 2108013, 2108014, 2108015, 2108016, 2108017, 2108018, 2108019, 2108020, 2108021 via cif-deposit CGI script. |
2108014.cif 2108014.hkl |
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Users of the data should acknowledge the original authors of the
structural data.