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Information card for entry 4003709
Preview
| Coordinates | 4003709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cu8 K3 S4 Te2 |
|---|---|
| Calculated formula | Cu8 K3 S4 Te2 |
| 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 | 18.117 ± 0.018 Å |
| b | 3.937 ± 0.004 Å |
| c | 9.982 ± 0.01 Å |
| α | 90° |
| β | 102.542 ± 0.017° |
| γ | 90° |
| Cell volume | 695 ± 1.2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0977 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259176 (current) | 2020-11-19 | cif/ Adding structures of 4003709 via cif-deposit CGI script. |
4003709.cif |
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