Information card for entry 1508970

Structure parameters

• Mineral name: Vaterite
• Formula: C1.5 Ca1.5 O4.5
• Calculated formula: C1.5 Ca1.5 O4.5
• 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: 9.47 Å
• α: 90°
• β: 118.37°
• γ: 90°
• Cell volume: 722.026 ų
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.387
• Residual factor for significantly intense reflections: 0.3761
• Weighted residual factors for significantly intense reflections: 0.6852
• Weighted residual factors for all reflections included in the refinement: 0.7024
• Goodness-of-fit parameter for all reflections included in the refinement: 3.715
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0197 Å
• Diffraction radiation type: electrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No