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Information card for entry 7711569
Preview
| Coordinates | 7711569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Bi12.89 Br2.85 S17.15 |
|---|---|
| Calculated formula | Bi12.9 Br2.846 S17.154 |
| Title of publication | Modulation of transport properties via S/Br substitution: solvothermal synthesis, crystal structure, and transport properties of Bi13S17Br3 |
| Authors of publication | Amarasinghe, Dinesh K.; Yox, Philip; Viswanathan, Gayatri; Adeyemi, Adedoyin N.; Kovnir, Kirill |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 15.473 ± 0.003 Å |
| b | 15.473 ± 0.003 Å |
| c | 4.0041 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 830.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.047 |
| Weighted residual factors for all reflections included in the refinement | 0.0499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278826 (current) | 2022-10-27 | cif/ Adding structures of 7711569 via cif-deposit CGI script. |
7711569.cif |
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Users of the data should acknowledge the original authors of the
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