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Information card for entry 4126031
Preview
| Coordinates | 4126031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Bi2.46 Cd1.54 Rb1.53 S6 |
|---|---|
| Calculated formula | Bi2.4748 Cd1.5268 Rb1.522 S6 |
| Title of publication | The Two-Dimensional AxCdxBi4-xQ6 (A = K, Rb, Cs; Q = S, Se): Direct Bandgap Semiconductors and Ion-Exchange Materials. |
| Authors of publication | Zhao, Jing; Islam, Saiful M.; Kontsevoi, Oleg Y.; Tan, Gangjian; Stoumpos, Constantinos C.; Chen, Haijie; Li, Rukang; Kanatzidis, Mercouri G. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 3.9968 ± 0.0008 Å |
| b | 6.9243 ± 0.0014 Å |
| c | 23.7 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 655.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1155 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.23 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196651 (current) | 2017-05-13 | cif/ Adding structures of 4126031 via cif-deposit CGI script. |
4126031.cif |
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