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Information card for entry 1567378
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| Coordinates | 1567378.cif |
|---|---|
| Structure factors | 1567378.hkl |
| Original IUCr paper | HTML |
| Chemical name | Henhexacontacopper dotriacontasulfur |
|---|---|
| Formula | Cu61.39 S32 |
| Calculated formula | Cu61.385 S32 |
| Title of publication | Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites |
| Authors of publication | Zhou, Yawei; Fan, Changzeng; Wen, Bin; Zhang, Lifeng |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 7 |
| Pages of publication | x220694 |
| a | 26.85 ± 0.001 Å |
| b | 15.6862 ± 0.0006 Å |
| c | 13.5175 ± 0.0006 Å |
| α | 90° |
| β | 90.062 ± 0.002° |
| γ | 90° |
| Cell volume | 5693.2 ± 0.4 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.1139 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300370 (current) | 2025-07-05 | Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
1567378.cif 1567378.hkl |
| 276904 | 2022-07-23 | cif/ hkl/ Adding structures of 1567378 via cif-deposit CGI script. |
1567378.cif 1567378.hkl |
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Users of the data should acknowledge the original authors of the
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