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Information card for entry 7711075
Preview
| Coordinates | 7711075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H9 Ag Bi I5 S |
|---|---|
| Calculated formula | C3 H9 Ag Bi I5 S |
| Title of publication | [SMe3]2[Bi2Ag2I10], a silver iodido bismuthate with an unusually small band gap |
| Authors of publication | Möbs, Jakob; Pan, Sudip; Tonner-Zech, Ralf; Heine, Johanna |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 8.4976 ± 0.0015 Å |
| b | 17.66 ± 0.003 Å |
| c | 10.9308 ± 0.0019 Å |
| α | 90° |
| β | 92.046 ± 0.014° |
| γ | 90° |
| Cell volume | 1639.3 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0633 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277416 (current) | 2022-08-27 | cif/ Adding structures of 7711075, 7711076, 7711077, 7711078 via cif-deposit CGI script. |
7711075.cif |
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Users of the data should acknowledge the original authors of the
structural data.