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Information card for entry 4002832
Preview
| Coordinates | 4002832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Bi12.67 I2 S18 |
|---|---|
| Calculated formula | Bi12.9516 I2 S18 |
| Title of publication | Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures |
| Authors of publication | Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2017 |
| a | 15.612 ± 0.002 Å |
| b | 15.612 ± 0.002 Å |
| c | 4.0168 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 847.9 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0178 |
| Residual factor for significantly intense reflections | 0.0166 |
| Weighted residual factors for significantly intense reflections | 0.0356 |
| Weighted residual factors for all reflections included in the refinement | 0.0359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198938 (current) | 2017-07-25 | cif/ Adding structures of 4002831, 4002832 via cif-deposit CGI script. |
4002832.cif |
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Users of the data should acknowledge the original authors of the
structural data.