Information card for entry 7237621

Structure parameters

• Formula: C3 H15 Bi2 I9 N6
• Calculated formula: C3 H15 Bi2 I9 N6
• 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: 8.692 ± 0.0002 Å
• b: 15.055 ± 0.0002 Å
• c: 21.9675 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2874.62 ± 0.11 ų
• Cell temperature: 189.9 ± 0.2 K
• Ambient diffraction temperature: 189.9 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No