Information card for entry 1517803

Structure parameters

• Common name: carbon dioxide
• Chemical name: carbon dioxide
• Formula: C O2
• Calculated formula: C O2
• Title of publication: Structure and compressibility of the high-pressure molecular phase II of carbon dioxide
• Authors of publication: Datchi, Frédéric; Mallick, Bidyut; Salamat, Ashkan; Rousse, Gwenaëlle; Ninet, Sandra; Garbarino, Gaston; Bouvier, Pierre; Mezouar, Mohamed
• Journal of publication: Physical Review B: Condensed Matter and Materials Physics
• Year of publication: 2014
• Journal volume: 89
• Journal issue: 14
• Pages of publication: 144101
• a: 3.5161 ± 0.0016 Å
• b: 3.5161 ± 0.0016 Å
• c: 4.1043 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 50.74 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 2
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor R(I) for significantly intense reflections: 1.921
• Method of determination: powder diffraction
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No