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Information card for entry 1564890
Preview
| Coordinates | 1564890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Pyrite |
|---|---|
| Formula | Fe S2 |
| Calculated formula | Fe S2 |
| Title of publication | Synthetic control over polymorph formation in the d-band semiconductor system FeS2 |
| Authors of publication | Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 5.41027 ± 0.00015 Å |
| b | 5.41027 ± 0.00015 Å |
| c | 5.41027 ± 0.00015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 158.364 ± 0.008 Å3 |
| Cell temperature | 160 ± 1 K |
| Ambient diffraction temperature | 160 ± 1 K |
| Number of distinct elements | 2 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0183 |
| Residual factor for significantly intense reflections | 0.0183 |
| Weighted residual factors for significantly intense reflections | 0.0444 |
| Weighted residual factors for all reflections included in the refinement | 0.0444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.32 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269866 (current) | 2021-10-09 | cif/ Adding structures of 1564889, 1564890 via cif-deposit CGI script. |
1564890.cif |
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Users of the data should acknowledge the original authors of the
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