Information card for entry 1548453

Structure parameters

• Formula: C H0.378 D5.622 I3 N Pb
• Calculated formula: C H0.378 D5.622 I3 N Pb
• Title of publication: Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide
• Authors of publication: P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford
• Journal of publication: Scientific Reports
• Year of publication: 2016
• Journal volume: 6
• Pages of publication: 35685
• a: 8.81155 ± 0.00006 Å
• b: 12.58714 ± 0.00009 Å
• c: 8.55975 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 949.381 ± 0.011 ų
• Ambient diffraction temperature: 10 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Goodness-of-fit parameter for all reflections included in the refinement: 2.71
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No