Information card for entry 7120275

Structure parameters

• Formula: C4 Br3 Cd O P
• Calculated formula: C4 Br3 Cd O0.99 P
• Title of publication: [(CH3)3PCH2OH][CdBr3] Is a Perovskite-type Ferroelastic Compound Above Room Temperature
• Authors of publication: Zheng, Xuan; Zhou, Lin; Shi, Ping-Ping; Geng, Fu-Juan; Fu, Da-Wei; Ye, Qiong
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.839 ± 0.003 Å
• b: 9.839 ± 0.003 Å
• c: 6.934 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 581.3 ± 0.4 ų
• Cell temperature: 359 ± 2 K
• Ambient diffraction temperature: 359 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.1247
• Weighted residual factors for significantly intense reflections: 0.3093
• Weighted residual factors for all reflections included in the refinement: 0.3142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No