Information card for entry 1547355

Structure parameters

• Formula: C Ca O
• Calculated formula: C0.166667 Ca0.166667 O0.5
• Title of publication: Structural evolution of calcite at high temperatures: Phase V unveiled
• Authors of publication: Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa
• Journal of publication: Scientific Reports
• Year of publication: 2013
• Journal volume: 3
• Pages of publication: 2832
• a: 4.9756 Å
• b: 4.9756 Å
• c: 17.3717 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 372.446 ± 0.006 ų
• Cell temperature: 891 K
• Ambient diffraction temperature: 891 K
• Number of distinct elements: 3
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.0223
• Goodness-of-fit parameter for significantly intense reflections: 1.58
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No