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Information card for entry 3000042
Preview
| Coordinates | 3000042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Al2 Cs3 F9 |
|---|---|
| Calculated formula | Al2 Cs3 F9 |
| Title of publication | Face-sharing octahedra in Cs~2~AlF~5~ and Cs~3~Al~2~F~9~ |
| Authors of publication | Armel Le Bail; Lubomir Smrcok |
| Journal of publication | Powder Diffraction |
| Year of publication | 2015 |
| Journal volume | 30 |
| Journal issue | 2 |
| Pages of publication | 130 - 138 |
| a | 6.2535 ± 0.00019 Å |
| b | 6.2535 ± 0.00019 Å |
| c | 14.7193 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 498.5 ± 0.03 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 3 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor R(I) for significantly intense reflections | 5.9856 |
| Goodness-of-fit parameter for all reflections | 3.154 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176722 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 3. |
3000042.cif |
| 139312 | 2015-06-18 | cif/ Updating files of 3000042 Original log message: Releasing structure 3000042 into public domain as published material. |
3000042.cif |
| 130062 | 2015-01-22 | cif/ Adding structures of 3000042 via cif-deposit CGI script. |
3000042.cif |
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Users of the data should acknowledge the original authors of the
structural data.