Information card for entry 9007286

Structure parameters

• Mineral name: Calcite
• Formula: C Ca O3
• Calculated formula: C Ca O3
• Title of publication: The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation Note: Theoretically derived structure
• Authors of publication: Prencipe, M.; Pascale, F.; Zicovich-Wilson C M; Saunders, V. R.; Orlando, R.; Dovesi, R.
• Journal of publication: Physics and Chemistry of Minerals
• Year of publication: 2004
• Journal volume: 31
• Pages of publication: 559 - 564
• a: 5.0492 Å
• b: 5.0492 Å
• c: 17.343 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 382.913 ų
• Number of distinct elements: 3
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No