Information card for entry 1000149

Structure parameters

• Chemical name: Sodium calcium hexafluoroaluminate - α
• Formula: Al Ca F6 Na
• Calculated formula: Al Ca F6 Na
• SMILES: [F-][Al](F)(F)(F)([F-])[F-].[Ca+2].[Na+]
• Title of publication: Structure of α-NaCaAlF~6~ determined ab initio from conventional powder diffraction data
• Authors of publication: Le Bail, A.; Hemon-Ribaud, A.; Courbion, G.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 35
• Journal issue: 3
• Pages of publication: 265 - 272
• a: 8.7423 ± 0.0003 Å
• b: 5.1927 ± 0.0002 Å
• c: 20.35139 ± 0.0009 Å
• α: 90°
• β: 91.499 ± 0.002°
• γ: 90°
• Cell volume: 923.6 ų
• 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: 0.052
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No