Information card for entry 4124388

Structure parameters

• Common name: MAPbI3
• Formula: C H6 I3 N Pb
• Calculated formula: C1.04 H6.24 I3 N1.04 Pb
• Title of publication: Dynamic Optical Properties of CH3NH3PbI3 Single Crystals As Revealed by One- and Two-Photon Excited Photoluminescence Measurements.
• Authors of publication: Yamada, Yasuhiro; Yamada, Takumi; Phuong, Le Quang; Maruyama, Naoki; Nishimura, Hidetaka; Wakamiya, Atsushi; Murata, Yasujiro; Kanemitsu, Yoshihiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150814091520002
• a: 8.8392 ± 0.0003 Å
• b: 8.8392 ± 0.0003 Å
• c: 12.6948 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 991.86 ± 0.06 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No