Information card for entry 4344959

Structure parameters

• Formula: C6 H18 Bi2 I9
• Calculated formula: C6 H22.3234 Bi2 I9
• 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: 8.568 ± 0.002 Å
• b: 8.568 ± 0.002 Å
• c: 21.757 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1383.2 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.374
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No