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Information card for entry 1562946
Preview
| Coordinates | 1562946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cesium nickel iodide |
|---|---|
| Formula | Cs I3 Ni |
| Calculated formula | Cs I3 Ni |
| SMILES | [Ni]12(I)(I)(I)[I][Ni]([I]1)[I]2.[Cs+].[Cs+] |
| Title of publication | Syntheses and structure of hydrothermally prepared CsNiX3 (X=Cl, Br, I) |
| Authors of publication | Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2012 |
| Journal volume | 192 |
| Pages of publication | 34 - 37 |
| a | 7.9469 ± 0.0002 Å |
| b | 7.9469 ± 0.0002 Å |
| c | 6.6575 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 364.114 ± 0.017 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 for all reflections | 0.0106 |
| Residual factor for significantly intense reflections | 0.0105 |
| Weighted residual factors for significantly intense reflections | 0.0358 |
| Weighted residual factors for all reflections included in the refinement | 0.0358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265577 (current) | 2021-05-28 | cif/ Adding structures of 1562944, 1562945, 1562946 via cif-deposit CGI script. |
1562946.cif |
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Users of the data should acknowledge the original authors of the
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