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Information card for entry 2021822
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| Coordinates | 2021822.cif |
|---|---|
| Structure factors | 2021822.hkl |
| Original IUCr paper | HTML |
| Formula | Cl2 H12 Mg O6 |
|---|---|
| Calculated formula | Cl2 Mg O6 |
| SMILES | [Cl-].[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Cl-] |
| Title of publication | Crystal structure of a high-pressure phase of magnesium chloride hexahydrate determined by <i>in-situ</i> X-ray and neutron diffraction methods |
| Authors of publication | Yamashita, Keishiro; Komatsu, Kazuki; Hattori, Takanori; Machida, Shinichi; Kagi, Hiroyuki |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| a | 5.7639 ± 0.0014 Å |
| b | 5.9218 ± 0.0002 Å |
| c | 5.9806 ± 0.0012 Å |
| α | 84.68 ± 0.04° |
| β | 86.72 ± 0.06° |
| γ | 70.99 ± 0.04° |
| Cell volume | 192.09 ± 0.08 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.2034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227695 (current) | 2019-11-13 | cif/ hkl/ Adding structures of 2021821, 2021822 via cif-deposit CGI script. |
2021822.cif 2021822.hkl |
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