Information card for entry 9017411

Structure parameters

• Mineral name: Vaterite
• Formula: C Ca O3
• Calculated formula: C4 Ca4 O12
• Title of publication: A new structural model for disorder in vaterite from first-principles calculations
• Authors of publication: Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Pages of publication: 44 - 47
• a: 4.3668 Å
• b: 6.5831 Å
• c: 8.4282 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 242.286 ų
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No