Information card for entry 4511950

Structure parameters

• Formula: Br4 Fe3 O4 Sb2
• Calculated formula: Br4 Fe3 O4 Sb2
• Title of publication: A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides
• Authors of publication: Zimmermann, Iwan; Johnsson, Mats
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5252
• a: 6.3099 ± 0.0001 Å
• b: 12.3959 ± 0.0003 Å
• c: 14.5287 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1136.39 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No