Information card for entry 7130785

Structure parameters

• Formula: C Br3 N2 Pb
• Calculated formula: C0.9996 Br3 N2 Pb
• Title of publication: Atomic understanding of Formamidinium Hybrid Halide Perovskite, FAPbBr3
• Authors of publication: Li, Chengmin; Juarez-Perez, Emilio J.; Mayoral, Alvaro
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 5.9968 ± 0.0007 Å
• b: 5.9968 ± 0.0007 Å
• c: 5.9968 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 215.65 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.1601
• Weighted residual factors for significantly intense reflections: 0.3246
• Weighted residual factors for all reflections included in the refinement: 0.3266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.595
• Diffraction radiation wavelength: 0.02508 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No