Information card for entry 7248763

Structure parameters

• Formula: Br2.7 Cs I0.3 Pb
• Calculated formula: Br2.7 Cs I0.3 Pb
• Title of publication: Spontaneous Phase Transition from 3D Perovskite to 1D Non-perovskite in CsPbBr2.7I0.3
• Authors of publication: Shen, Meng; Zhang, Yulin; Cheng, Bingliang; Ma, Wenjuan; Huang, Xiaole; Zhang, Lei; Chai, Zhifang; Lin, Wenwen
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 8.2876 ± 0.0017 Å
• b: 11.814 ± 0.003 Å
• c: 8.2579 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 808.5 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No