Information card for entry 4308203

Structure parameters

• Formula: Ba19 Li44
• Calculated formula: Ba19 Li44
• SMILES: [Ba].[Li].[Li].[Ba].[Ba].[Ba].[Li].[Ba].[Ba].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Ba].[Ba].[Li].[Ba].[Ba].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Ba].[Li].[Ba].[Li].[Ba].[Li].[Ba].[Ba].[Ba].[Li].[Ba].[Li].[Ba].[Li].[Ba].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li].[Li]
• Title of publication: Double-Icosahedral Li Clusters in a New Binary Compound Ba19Li44: A Reinvestigation of the Ba-Li Phase Diagram
• Authors of publication: Volodymyr Smetana; Volodymyr Babizhetskyy; Grigori V. Vajenine; Constantin Hoch; Arndt Simon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5425 - 5428
• a: 16.3911 ± 0.0005 Å
• b: 16.3911 ± 0.0005 Å
• c: 32.712 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8788.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No