Information card for entry 4335634

Structure parameters

• Common name: alpha-Methylammonium_Lead_Iodide
• Formula: C H6 I3 N Pb
• Calculated formula: C I3 N Pb
• Title of publication: Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
• Authors of publication: Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9019 - 9038
• a: 6.3115 ± 0.0002 Å
• b: 6.3115 ± 0.0002 Å
• c: 6.3161 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 251.602 ± 0.014 ų
• Cell temperature: 400 ± 2 K
• Ambient diffraction temperature: 400 ± 2 K
• Number of distinct elements: 5
• Space group number: 99
• Hermann-Mauguin space group symbol: P 4 m m
• Hall space group symbol: P 4 -2
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No