Information card for entry 7237622

Structure parameters

• Formula: C3 H15 Bi2 I9 N6
• Calculated formula: C3 H17.9997 Bi2 I9 N5.9994
• Title of publication: Lead-free hybrid ferroelectric material based on formamidine: [NH2CHNH2]3Bi2I9
• Authors of publication: Szklarz, Przemysław; Gągor, Anna; Jakubas, Ryszard; Zieliński, Piotr; Piecha-Bisiorek, Anna; Cichos, Jakub; Karbowiak, Mirosław; Bator, Grażyna; Ciżman, Agnieszka
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 3003
• a: 8.7119 ± 0.0002 Å
• b: 8.7119 ± 0.0002 Å
• c: 22.0141 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1446.96 ± 0.08 ų
• Cell temperature: 219.8 ± 0.4 K
• Ambient diffraction temperature: 219.8 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No