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Information card for entry 2109020
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| Coordinates | 2109020.cif |
|---|---|
| Structure factors | 2109020.hkl |
| Original IUCr paper | HTML |
| Common name | mimetite |
|---|---|
| Formula | As4 Cl1.33 O16 Pb6.67 |
| Calculated formula | As4 Cl1.33333 O16 Pb6.66667 |
| Title of publication | Role of lone-pair electron localization in temperature-induced phase transitions in mimetite |
| Authors of publication | Cametti, Georgia; Nagashima, Mariko; Churakov, Sergey V. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| a | 20.4487 ± 0.0009 Å |
| b | 7.4362 ± 0.0002 Å |
| c | 20.4513 ± 0.0009 Å |
| α | 90° |
| β | 119.953 ± 0.006° |
| γ | 90° |
| Cell volume | 2694.5 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0717 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.56087 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276890 (current) | 2022-07-23 | cif/ hkl/ Adding structures of 2109020, 2109021, 2109022, 2109023, 2109024, 2109025 via cif-deposit CGI script. |
2109020.cif 2109020.hkl |
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Users of the data should acknowledge the original authors of the
structural data.