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Information card for entry 2108013
Preview
| Coordinates | 2108013.cif |
|---|---|
| Structure factors | 2108013.hkl |
| Original IUCr paper | HTML |
| Chemical name | rubidium hydrogen sulfate |
|---|---|
| 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 | 14.2651 ± 0.0005 Å |
| b | 4.5853 ± 0.0002 Å |
| c | 14.2789 ± 0.0005 Å |
| α | 90° |
| β | 117.999 ± 0.002° |
| γ | 90° |
| Cell volume | 824.66 ± 0.06 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections | 0.1313 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9617 |
| 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. |
2108013.cif 2108013.hkl |
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Users of the data should acknowledge the original authors of the
structural data.