Information card for entry 4344960

Structure parameters

• Formula: C3 H18 Bi2 I9 N3
• Calculated formula: C3 H18 Bi2 I9 N3
• Title of publication: Polar Nature of (CH3NH3)3Bi2I9 Perovskite-Like Hybrids.
• Authors of publication: Kamminga, Machteld E.; Stroppa, Alessandro; Picozzi, Silvia; Chislov, Mikhail; Zvereva, Irina A.; Baas, Jacob; Meetsma, Auke; Blake, Graeme R.; Palstra, Thomas T. M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 33 - 41
• a: 8.4952 ± 0.0006 Å
• b: 14.7126 ± 0.001 Å
• c: 21.6855 ± 0.0014 Å
• α: 90°
• β: 90.024 ± 0.002°
• γ: 90°
• Cell volume: 2710.4 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No