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Information card for entry 2108458
Preview
| Coordinates | 2108458.cif |
|---|---|
| Structure factors | 2108458.hkl |
| Original paper (by DOI) | HTML |
| Formula | As2 Hg Pb S5 |
|---|---|
| Calculated formula | As2 Hg Pb S5 |
| Title of publication | Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula |
| Authors of publication | Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| a | 21.246 ± 0.005 Å |
| b | 4.2897 ± 0.0009 Å |
| c | 9.5257 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 868.2 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.3818 |
| Residual factor for significantly intense reflections | 0.2715 |
| Weighted residual factors for significantly intense reflections | 0.2989 |
| Weighted residual factors for all reflections included in the refinement | 0.3097 |
| Goodness-of-fit parameter for significantly intense reflections | 12.87 |
| Goodness-of-fit parameter for all reflections included in the refinement | 10.7 |
| Diffraction radiation probe | electron |
| Diffraction radiation wavelength | 0.0335 Å |
| Diffraction radiation type | electron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217346 (current) | 2019-08-01 | cif/ hkl/ Adding structures of 2108457, 2108458 via cif-deposit CGI script. |
2108458.cif 2108458.hkl |
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