Information card for entry 1101116

Structure parameters

• Common name: Calcium Pentafluoroaluminate
• Formula: Al Ca F5
• Calculated formula: Al Ca F5
• Title of publication: Structural investigations of β-CaAlF5 by coupling powder XRD, NMR, EPR and spectroscopic parameter calculations
• Authors of publication: Body, M.; Silly, G.; Legein, C.; Buzaré, J.-Y.; Calvayrac, F.; Blaha, P.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2005
• Journal volume: 178
• Journal issue: 12
• Pages of publication: 3655 - 3643
• a: 5.3361 ± 0.0001 Å
• b: 9.8298 ± 0.0002 Å
• c: 7.3271 ± 0.0001 Å
• α: 90°
• β: 109.911 ± 0.001°
• γ: 90°
• Cell volume: 361.4 ± 0.1 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No