Information card for entry 2021041

Structure parameters

• 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 ų
• 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