Information card for entry 3000000

Structure parameters

• Mineral name: Vaterite
• Formula: C Ca O3
• Calculated formula: C Ca O3
• SMILES: O=C([O-])[O-].[Ca+2]
• Title of publication: Microtwinning hypothesis for a more ordered vaterite model
• Authors of publication: Armel Le Bail; Salim Ouhenia; Daniel Chateigner
• Journal of publication: Powder Diffraction
• Year of publication: 2011
• Journal volume: 26
• Pages of publication: 16 - 21
• a: 8.4721 ± 0.0005 Å
• b: 7.1575 ± 0.0007 Å
• c: 4.1265 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 250.23 ± 0.04 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor R(I) for significantly intense reflections: 5.2218
• Method of determination: powder diffraction
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No