Information card for entry 4326534

Structure parameters

• Formula: Ba3.97 Fe3 K1.03 O9
• Calculated formula: Ba3.96925 Fe3 K1.03075 O9
• Title of publication: Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra
• Authors of publication: Qingbiao Zhao; Saritha Nellutla; Won-Joon Son; Shae A. Vaughn; Longfei Ye; Mark D. Smith; Vincent Caignaert; Michael Lufaso; Thomas M. Pekarek; Alex I. Smirnov; Myung-Hwan Whangbo; Hans-Conrad zur Loye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10310 - 10318
• a: 16.7644 ± 0.0002 Å
• b: 16.7644 ± 0.0002 Å
• c: 16.7644 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4711.55 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No