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Information card for entry 1566060
Preview
| Coordinates | 1566060.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Bi2.02 Cd0.98 S4 |
|---|---|
| Calculated formula | Bi2.0235 Cd0.9765 S4 |
| Title of publication | Experimental and theoretical study of crystal structure and bandgap of CdBi2S4 |
| Authors of publication | Matyszczak, Grzegorz; Sutuła, Szymon; Krawczyk, Krzysztof; Woźniak, Krzysztof |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2022 |
| Journal volume | 305 |
| Pages of publication | 122695 |
| a | 13.12051 ± 0.00019 Å |
| b | 3.98623 ± 0.00004 Å |
| c | 14.6231 ± 0.0002 Å |
| α | 90° |
| β | 116.278 ± 0.0018° |
| γ | 90° |
| Cell volume | 685.769 ± 0.019 Å3 |
| Cell temperature | 296.2 ± 0.5 K |
| Ambient diffraction temperature | 296.2 ± 0.5 K |
| Number of distinct elements | 3 |
| 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272154 (current) | 2022-01-20 | cif/ Adding structures of 1566060 via cif-deposit CGI script. |
1566060.cif |
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Users of the data should acknowledge the original authors of the
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