Information card for entry 2022959

Structure parameters

• Chemical name: Magnesium lithium boride (1.11/1.89/47.60)
• Formula: B47.6 Li1.89 Mg1.11
• Calculated formula: B47.61 Li1.913 Mg1.087
• Title of publication: Synthesis, crystal structure and hydrogenation properties of Mg_<i>x</i>Li_{3 - <i>x</i>}B_{48 - <i>y</i>} (<i>x</i> = 1.11, <i>y</i> = 0.40).
• Authors of publication: Pavlyuk, Nazar; Milashius, Viktoria; Kordan, Vasyl; Pavlyuk, Volodymyr
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 1
• Pages of publication: 10 - 13
• a: 10.1905 ± 0.0006 Å
• b: 10.1905 ± 0.0006 Å
• c: 14.4709 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1502.75 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes