Information card for entry 8000558

Structure parameters

• Common name: Cs Pb I2 Br
• Chemical name: Cs Pb I2 Br
• Formula: Br Cs I2 Pb
• Calculated formula: Br Cs I2 Pb
• Title of publication: Peculiar Steric Hindrance Assists Monoclinic Phase Formation toward High-Quality All-Inorganic Perovskites.
• Authors of publication: Yue, Yaochang; Zhou, Jiyu; Cheng, Qian; Zhang, Xuning; Wang, Boxin; Li, Yanxun; Li, Shilin; Cao, Ruiqi; Wang, Kaiyuan; Wang, Hui; Zhou, Huiqiong; Zhang, Yuan
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 45
• Pages of publication: 11228 - 11237
• a: 5.8131 ± 0.00005 Å
• b: 15.6887 ± 0.0002 Å
• c: 5.2854 ± 0.00008 Å
• α: 90°
• β: 92.282 ± 0.0006°
• γ: 90°
• Cell volume: 481.646 ± 0.01 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295.03 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor R(I) for significantly intense reflections: 7.3375
• Goodness-of-fit parameter for all reflections: 1.2232
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No