Information card for entry 7236561

Structure parameters

• Chemical name: ?CH3NH3?0.85[CH(NH2)2]0.15PbI3
• Formula: C H5.85 I3 N1.15 Pb
• Calculated formula: C I3 N1.14 Pb
• Title of publication: The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals
• Authors of publication: Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 18
• Pages of publication: 8537
• a: 6.3191 ± 0.0002 Å
• b: 6.3191 ± 0.0002 Å
• c: 6.3191 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 252.328 ± 0.014 ų
• Cell temperature: 300 ± 0.1 K
• Ambient diffraction temperature: 300 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No