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Information card for entry 4003706
Preview
| Coordinates | 4003706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cu4.23 Rb S2 Te |
|---|---|
| Calculated formula | Cu4.232 Rb S2 Te |
| Title of publication | Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions |
| Authors of publication | Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 3.9063 ± 0.0002 Å |
| b | 3.9063 ± 0.0002 Å |
| c | 10.436 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 159.245 ± 0.018 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299.19 K |
| Number of distinct elements | 4 |
| Space group number | 123 |
| Hermann-Mauguin space group symbol | P 4/m m m |
| Hall space group symbol | -P 4 2 |
| Residual factor for all reflections | 0.0211 |
| Residual factor for significantly intense reflections | 0.0173 |
| Weighted residual factors for significantly intense reflections | 0.0336 |
| Weighted residual factors for all reflections included in the refinement | 0.0343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259173 (current) | 2020-11-19 | cif/ Adding structures of 4003706 via cif-deposit CGI script. |
4003706.cif |
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