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Information card for entry 3500170
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| Coordinates | 3500170.cif |
|---|
| Common name | Calcium aluminium oxyfluoride |
|---|---|
| Formula | Al8 Ca F2 O12 |
| Calculated formula | Al8 Ca F2 O12 |
| Authors of publication | Armel Le Bail |
| Journal of publication | Personal communication to COD |
| Year of publication | 2026 |
| a | 8.2605 ± 0.0005 Å |
| b | 8.2605 ± 0.0005 Å |
| c | 5.1397 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 303.73 ± 0.04 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor R(I) for significantly intense reflections | 6.3696 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306659 (current) | 2026-06-26 | cif/ Adding structures of 3500170 via cif-deposit CGI script. |
3500170.cif |
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Users of the data should acknowledge the original authors of the
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