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Information card for entry 1557179
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| Coordinates | 1557179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Al Br4 Cs |
|---|---|
| Calculated formula | Al Br4 Cs |
| SMILES | [Cs+].[Br-][Al](Br)(Br)Br |
| Title of publication | The CsBr-AlBr3 Phase Diagram and the Crystal Structure of CsAlBr4 |
| Authors of publication | Berg, Rolf Willestofte |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1997 |
| Journal volume | 51 |
| Pages of publication | 455 - 461 |
| a | 12.2137 ± 0.002 Å |
| b | 7.5304 ± 0.0014 Å |
| c | 9.9293 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 913.2 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| RFsqd | 0.0458 |
| Residual factor R(I) for significantly intense reflections | 0.0419 |
| 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 |
|---|---|---|---|
| 247342 (current) | 2020-01-29 | cif/ Adding structures of 1557179 via cif-deposit CGI script. |
1557179.cif |
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Users of the data should acknowledge the original authors of the
structural data.