Information card for entry 2200086

Structure parameters

• Formula: Ba Li Sb
• Calculated formula: Ba Li Sb
• SMILES: [Ba+2].[Sb-3].[Li+]
• Title of publication: A new ternary antimonide phase, LiBaSb
• Authors of publication: Monconduit, Laure; Belin, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: i17 - i18
• a: 4.8982 ± 0.001 Å
• b: 4.8982 ± 0.001 Å
• c: 9.014 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 187.29 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No