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Information card for entry 2022358
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| Coordinates | 2022358.cif |
|---|---|
| Structure factors | 2022358.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dodecalithium trimagnesium trisilicon aluminium |
|---|---|
| Formula | Al0.33 Li4 Mg Si |
| Calculated formula | Al0.33 Li4 Mg Si1.00333 |
| Title of publication | Structural and enhanced hydrogen storage properties of the Li~12~Mg~3~Si~3~Al phase |
| Authors of publication | Pavlyuk, Volodymyr; Ciesielski, Wojciech; Kulawik, Damian; Pavlyuk, Nazar; Dmytriv, Grygoriy |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 5 |
| Pages of publication | 227 - 234 |
| a | 10.7338 ± 0.0009 Å |
| b | 10.7338 ± 0.0009 Å |
| c | 10.7338 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1236.69 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 220 |
| Hermann-Mauguin space group symbol | I -4 3 d |
| Hall space group symbol | I -4bd 2c 3 |
| Residual factor for all reflections | 0.0203 |
| Residual factor for significantly intense reflections | 0.0184 |
| Weighted residual factors for significantly intense reflections | 0.0345 |
| Weighted residual factors for all reflections included in the refinement | 0.035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266203 (current) | 2021-06-06 | cif/ Updating files of 2022358 Original log message: Adding full bibliography for 2022358.cif. |
2022358.cif 2022358.hkl |
| 264447 | 2021-04-23 | cif/ hkl/ Adding structures of 2022358 via cif-deposit CGI script. |
2022358.cif 2022358.hkl |
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Users of the data should acknowledge the original authors of the
structural data.