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Information card for entry 2243590
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| Coordinates | 2243590.cif |
|---|---|
| Structure factors | 2243590.hkl |
| Original IUCr paper | HTML |
| Chemical name | Thallium(I) iodide oxide |
|---|---|
| Formula | I O Tl3 |
| Calculated formula | I O Tl3 |
| SMILES | [Tl+].[Tl+].[Tl+].[O-2].[I-] |
| Title of publication | Hydroflux synthesis and crystal structure of Tl~3~IO |
| Authors of publication | Albrecht, Ralf; Menning, Heinrich; Doert, Thomas; Ruck, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 10 |
| Pages of publication | 1638 - 1640 |
| a | 7.1512 ± 0.0003 Å |
| b | 7.1512 ± 0.0003 Å |
| c | 6.3639 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 281.85 ± 0.02 Å3 |
| Cell temperature | 100.01 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 3 |
| 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 | 0.0216 |
| Residual factor for significantly intense reflections | 0.0176 |
| Weighted residual factors for significantly intense reflections | 0.0403 |
| Weighted residual factors for all reflections included in the refinement | 0.0413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.29 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256383 (current) | 2020-09-12 | cif/ hkl/ Adding structures of 2243590 via cif-deposit CGI script. |
2243590.cif 2243590.hkl |
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