Information card for entry 1000043

Structure parameters

• Chemical name: Calcium difluoride
• Mineral name: Fluorite
• Formula: Ca F2
• Calculated formula: Ca F2
• SMILES: [Ca+2].[F-].[F-]
• Title of publication: Defect structure of calcium fluoride containing excess anions: I. Bragg scattering
• Authors of publication: Cheetham, A K; Fender, B E F; Cooper, M J
• Journal of publication: Journal of Physics C
• Year of publication: 1971
• Journal volume: 4
• Pages of publication: 3107 - 3121
• a: 5.462 ± 0.03 Å
• b: 5.462 ± 0.03 Å
• c: 5.462 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 163 ų
• Number of distinct elements: 2
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.008
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No