Information card for entry 4003876

Structure parameters

• Formula: F4 Mo O2 Pb
• Calculated formula: F4 Mo O2 Pb
• Title of publication: Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph
• Authors of publication: Jo, Hongil; Lee, Min Hyung; Ok, Kang Min
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 19.0225 ± 0.0005 Å
• b: 4.9121 ± 0.0001 Å
• c: 9.9183 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 926.77 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No