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Information card for entry 2108042
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| Coordinates | 2108042.cif |
|---|---|
| Structure factors | 2108042.hkl |
| Original paper (by DOI) | HTML |
| Common name | Mullite |
|---|---|
| Formula | Al4.847 O9.577 Si1.153 |
| Calculated formula | Al3.76851 O7.5 Si0.731492 |
| Title of publication | Ordered vacancy distribution in 2/1 mullite: a superspace model |
| Authors of publication | Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 3 |
| a | 7.5817 ± 0.0006 Å |
| b | 7.6752 ± 0.0007 Å |
| c | 2.8843 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 167.84 ± 0.03 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 55 |
| Hermann-Mauguin space group symbol | P b a m |
| Hall space group symbol | -P 2 2ab |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for significantly intense reflections | 1.03 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196647 (current) | 2017-05-12 | cif/ hkl/ Adding structures of 2108042, 2108043 via cif-deposit CGI script. |
2108042.cif 2108042.hkl |
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Users of the data should acknowledge the original authors of the
structural data.