Information card for entry 4303731

Structure parameters

• Formula: B12 Fe10 H8 O37
• Calculated formula: B12 Fe10 O37
• Title of publication: Fe5O5[B6O10(OH)3].nH2O: Wave-Layered Iron Borate and Frustrated Antiferromagnetism
• Authors of publication: Tao Yang; Junliang Sun; Guobao Li; Yingxia Wang; Jeppe Christensen; Zhanbing He; Kirsten E. Christensen; Xiaodong Zou; Fuhui Liao; Jianhua Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11209 - 11214
• a: 15.3013 ± 0.0004 Å
• b: 11.8762 ± 0.0004 Å
• c: 16.2894 ± 0.0005 Å
• α: 90°
• β: 103.627 ± 0.002°
• γ: 90°
• Cell volume: 2876.8 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No