Information card for entry 7703295

Structure parameters

• Formula: C5 H12 I3 N Pb
• Calculated formula: C5 H12 I3 N Pb
• Title of publication: Dielectric phase transition of an A₂BX₄-type perovskite with a pentahedral to octahedral transformation.
• Authors of publication: Chai, Siqian; Xiong, Jianbo; Zheng, Yongshen; Shi, Rongchao; Xu, Jialiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2218 - 2224
• a: 19.316 ± 0.0019 Å
• b: 8.2729 ± 0.0008 Å
• c: 17.4841 ± 0.0017 Å
• α: 90°
• β: 116.121 ± 0.003°
• γ: 90°
• Cell volume: 2508.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.3232
• Weighted residual factors for all reflections included in the refinement: 0.3496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No