Information card for entry 7131175

Structure parameters

• Formula: C16 Bi2 Br9 N P2
• Calculated formula: C16 Bi2 Br9 N P2
• Title of publication: Increasing the ferroelastic phase transition temperature of hybrid perovskites through a mixed phosphonium and ammonium cation strategy.
• Authors of publication: Mu, Jie; Xu, Ke; He, Lei; Xu, Yan; Yin, Ti-Jian; Men, Jin-Tao; Ye, Qiong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 9
• Pages of publication: 1209 - 1212
• a: 23.522 ± 0.002 Å
• b: 8.5667 ± 0.0006 Å
• c: 19.7659 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3982.9 ± 0.5 ų
• Cell temperature: 363 ± 2 K
• Ambient diffraction temperature: 363 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P m c n
• Hall space group symbol: -P 2n 2a
• Residual factor for all reflections: 0.2491
• Residual factor for significantly intense reflections: 0.1098
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.2725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No