Information card for entry 4337515

Structure parameters

• Formula: Br2 F27 K10 O6 V6
• Calculated formula: Br1.9996 F27 K10 O6 V6
• Title of publication: Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.
• Authors of publication: Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 221 - 228
• a: 11.2978 ± 0.0003 Å
• b: 19.1761 ± 0.0005 Å
• c: 7.7624 ± 0.0002 Å
• α: 90°
• β: 93.247 ± 0.001°
• γ: 90°
• Cell volume: 1679.01 ± 0.08 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No