Information card for entry 1508971

Structure parameters

• Mineral name: Vaterite
• Formula: C9 Ca9 O27
• Calculated formula: C9 Ca9 O27
• Title of publication: Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction
• Authors of publication: Mugnaioli, E.; Andrusenko, I.; Schüler, T.; Loges, N.; Panthöfer, M.; Dinnebier, R. E.; Tremel, W.; Kolb, U.
• Journal of publication: Angewandte Chemie International Edition
• Year of publication: 2012
• Journal volume: 51
• Journal issue: 28
• Pages of publication: 7041 - 7045
• a: 12.17 Å
• b: 7.12 Å
• c: 25.32 Å
• α: 90°
• β: 99.22°
• γ: 90°
• Cell volume: 2165.64 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: C -1
• Hall space group symbol: -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
• Residual factor for all reflections: 0.4676
• Residual factor for significantly intense reflections: 0.4558
• Weighted residual factors for significantly intense reflections: 0.8028
• Weighted residual factors for all reflections included in the refinement: 0.8102
• Goodness-of-fit parameter for all reflections included in the refinement: 4.991
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0197 Å
• Diffraction radiation type: electrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No