Information card for entry 9017409

Structure parameters

• Mineral name: Vaterite
• Formula: C Ca O3
• Calculated formula: C18 Ca18 O54
• 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: 7.1239 Å
• b: 7.1239 Å
• c: 25.3203 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1112.85 ų
• Number of distinct elements: 3
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No