Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020961
Preview
| Coordinates | 2020961.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Lithium iodide trihydrate |
|---|---|
| Formula | H6 I Li O3 |
| Calculated formula | H6 I Li O3 |
| SMILES | [OH2][Li]12([OH2])([OH2])[OH2][Li]([OH2]1)[OH2]2.[I-].[I-] |
| Title of publication | Higher hydrates of lithium chloride, lithium bromide and lithium iodide |
| Authors of publication | Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| a | 7.461 ± 0.0018 Å |
| b | 7.461 ± 0.0018 Å |
| c | 5.459 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 263.17 ± 0.17 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 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 | 0.0162 |
| Residual factor for significantly intense reflections | 0.015 |
| Weighted residual factors for significantly intense reflections | 0.0378 |
| Weighted residual factors for all reflections included in the refinement | 0.038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205533 (current) | 2018-01-24 | cif/ hkl/ Adding structures of 2020956, 2020957, 2020958, 2020959, 2020960, 2020961, 2020962, 2020963 via cif-deposit CGI script. |
2020961.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.