Information card for entry 2016695

Structure parameters

• Chemical name: Lithium barium hexafluoridoaluminate
• Formula: Al Ba F6 Li
• Calculated formula: Al Ba F6 Li
• SMILES: [Al](F)(F)(F)([F-])([F-])[F-].[Li+].[Ba+2]
• Title of publication: LiBaAlF~6~ and the crystal chemistry of Li<i>A</i>^II^<i>B</i>^III^F~6~ phases
• Authors of publication: Merkulov, Alexander A.; Isaenko, Ludmila I.; Lobanov, Sergey I.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: i66 - i68
• a: 5.3372 ± 0.001 Å
• b: 10.15 ± 0.002 Å
• c: 8.535 ± 0.002 Å
• α: 90°
• β: 90.34 ± 0.03°
• γ: 90°
• Cell volume: 462.35 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0146
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes