Information card for entry 7236332

Structure parameters

• Common name: MAIB
• Chemical name: Trimethylammonium dibismuth nonaiodide
• Formula: C3 H9 Bi2 I9 N3
• Calculated formula: C3 Bi2 I9 N3
• Title of publication: Optoelectronic and photovoltaic properties of the air-stable organohalide semiconductor (CH3NH3)3Bi2I9
• Authors of publication: Abulikemu, Mutalifu; Ould-Chikh, Samy; Miao, Xiaohe; Alarousu, Erkki; Murali, Banavoth; Ngongang Ndjawa, Guy Olivier; Barbé, Jérémy; El Labban, Abdulrahman; Amassian, Aram; Del Gobbo, Silvano
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 32
• Pages of publication: 12504
• a: 8.5821 ± 0.0003 Å
• b: 8.5821 ± 0.0003 Å
• c: 21.7678 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1388.46 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No