Information card for entry 7040881

Structure parameters

• Formula: F H3 Ni O5 S
• Calculated formula: F H3 Ni O5 S
• Title of publication: Kagome-type isostructural 3D-transition metal fluorosulfates with spin 3/2 and 1: synthesis, structure and characterization.
• Authors of publication: Marri, Subba R.; Kumar, Jitendra; Panyarat, Kitt; Horike, Satoshi; Behera, J. N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17792 - 17797
• a: 13.0149 ± 0.0003 Å
• b: 10.6079 ± 0.0003 Å
• c: 6.5455 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 903.68 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.359
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No