Information card for entry 1000130

Structure parameters

• Chemical name: Barium catena-pentafluoroaluminate - β
• Formula: Al Ba F5
• Calculated formula: Al Ba F5
• Title of publication: Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions
• Authors of publication: Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1990
• Journal volume: 89
• Pages of publication: 282 - 291
• a: 5.1517 ± 0.0001 Å
• b: 19.56659 ± 0.0004 Å
• c: 7.5567 ± 0.0002 Å
• α: 90°
• β: 92.426 ± 0.001°
• γ: 90°
• Cell volume: 761 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.023
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No