Information card for entry 7239521

Structure parameters

• Formula: C H0 I3 N Pb
• Calculated formula: C I3 N Pb
• Title of publication: Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications
• Authors of publication: Baikie, Tom; Fang, Yanan; Kadro, Jeannette M.; Schreyer, Martin; Wei, Fengxia; Mhaisalkar, Subodh G.; Graetzel, Michael; White, Tim J.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 18
• Pages of publication: 5628
• a: 8.8362 ± 0.0011 Å
• b: 12.5804 ± 0.0015 Å
• c: 8.5551 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 951 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1322
• Weighted residual factors for significantly intense reflections: 0.1299
• Goodness-of-fit parameter for all reflections: 2.22
• Goodness-of-fit parameter for significantly intense reflections: 2.48
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No