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Information card for entry 2021041
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| Coordinates | 2021041.cif |
|---|---|
| Structure factors | 2021041.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimagnesium lithium aluminium carbide |
|---|---|
| Formula | C0.86 Al0.24 Li0.24 Mg1.52 |
| Calculated formula | C0.86 Al0.24 Li0.24 Mg1.52 |
| Title of publication | New quaternary carbide Mg~1.52~Li~0.24~Al~0.24~C~0.86~ as a disorder derivative of the family of hexagonal close-packed (hcp) structures and the effect of structure modification on the electrochemical behaviour of the electrode |
| Authors of publication | Pavlyuk, Volodymyr; Kulawik, Damian; Ciesielski, Wojciech; Pavlyuk, Nazar; Dmytriv, Grygoriy |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| a | 3.197 ± 0.0005 Å |
| b | 3.197 ± 0.0005 Å |
| c | 5.1943 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 45.977 ± 0.013 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 187 |
| Hermann-Mauguin space group symbol | P -6 m 2 |
| Hall space group symbol | P -6 2 |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.0769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.37 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206689 (current) | 2018-02-28 | cif/ hkl/ Adding structures of 2021041 via cif-deposit CGI script. |
2021041.cif 2021041.hkl |
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