Information card for entry 4122893

Structure parameters

• Common name: Methylammonium Lead Iodide Hydrate
• Formula: C H8 I3 N O Pb
• Calculated formula: C H8 I3 N O Pb
• Title of publication: Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10%
• Authors of publication: Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141106073145004
• a: 10.3939 ± 0.0009 Å
• b: 4.6419 ± 0.0002 Å
• c: 11.1181 ± 0.0009 Å
• α: 90°
• β: 101.161 ± 0.007°
• γ: 90°
• Cell volume: 526.27 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No