Information card for entry 1000236

Structure parameters

• Chemical name: Sodium calcium aluminium fluoride (2/3/2/14)
• Formula: Al2 Ca3 F14 Na2
• Calculated formula: Al2 Ca3 F14 Na2
• SMILES: [F-][Al](F)(F)(F)([F-])[F-].[Ca+2].[Ca+2].[Na+].[F-][Al](F)(F)(F)([F-])[F-].[F-].[F-].[Na+].[Ca+2]
• Title of publication: Na~2~ Ca~3~ Al~2~ F~14~: A New Example of a Structure with "Independent F^-^" - A New Method of Comparison between Fluorides and Oxides of Different Formula
• Authors of publication: Courbion, G; Ferey, G
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1988
• Journal volume: 76
• Pages of publication: 426 - 431
• a: 10.257 ± 0.001 Å
• b: 10.257 ± 0.001 Å
• c: 10.257 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1079.1 ų
• Number of distinct elements: 4
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for all reflections: 0.032
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No