Information card for entry 2300698

Structure parameters

• Formula: B Bi4 Cl O7
• Calculated formula: B Bi4 Cl O7
• Title of publication: When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides
• Authors of publication: Volkov, Sergey; Arsent'ev, Maxim; Ugolkov, Valery; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Bubnova, Rimma; Aksenov, Sergey
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2023
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 589 - 596
• a: 3.9277 ± 0.0001 Å
• b: 13.0981 ± 0.0005 Å
• c: 3.8808 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 199.649 ± 0.011 ų
• Cell temperature: 296.9 ± 0.7 K
• Ambient diffraction temperature: 296.9 K
• Number of distinct elements: 4
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for significantly intense reflections: 4.96
• Goodness-of-fit parameter for all reflections included in the refinement: 4.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes