Information card for entry 4003693

Structure parameters

• Formula: C8 H24 Ag Bi Br7 Cs N2
• Calculated formula: C8 H24 Ag Bi Br7 Cs N2
• Title of publication: A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders
• Authors of publication: Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 5.7059 ± 0.0005 Å
• b: 5.7059 ± 0.0005 Å
• c: 40.293 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1311.8 ± 0.3 ų
• Cell temperature: 400 ± 2 K
• Ambient diffraction temperature: 400.15 K
• Number of distinct elements: 7
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No