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Information card for entry 2108771
Preview
| Coordinates | 2108771.cif |
|---|---|
| Structure factors | 2108771.hkl |
| Original paper (by DOI) | HTML |
| Formula | Cu2 Ge Se3 |
|---|---|
| Calculated formula | Cu2 Ge Se3 |
| Title of publication | The crystal structure of Cu~2~GeSe~3~ and the structure-types of the I~2~-IV-VI~3~ family of semiconducting compounds |
| Authors of publication | Dugarte-Dugarte, Analio; Ramírez Pineda, Nahum; Nieves, Luis; Henao, José Antonio; Díaz de Delgado, Graciela; Delgado, José Miguel |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 1 |
| Pages of publication | 158 - 167 |
| a | 6.7703 ± 0.0004 Å |
| b | 11.8624 ± 0.0005 Å |
| c | 6.7705 ± 0.0004 Å |
| α | 90° |
| β | 108.512 ± 0.006° |
| γ | 90° |
| Cell volume | 515.62 ± 0.05 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0311 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261796 (current) | 2021-02-05 | cif/ Updating files of 2108771 Original log message: Adding full bibliography for 2108771.cif. |
2108771.cif 2108771.hkl |
| 261305 | 2021-01-29 | cif/ hkl/ Adding structures of 2108771 via cif-deposit CGI script. |
2108771.cif 2108771.hkl |
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Users of the data should acknowledge the original authors of the
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