Information card for entry 4304518

Structure parameters

• Formula: Ba2 F2 Fe1.5 S3
• Calculated formula: Ba2 F2 Fe1.5 S3
• Title of publication: Ba2F2Fe2+0.5Fe3+S3: A Two-Dimensional Inhomogeneous Mixed Valence Iron Compound
• Authors of publication: Houria Kabbour; Laurent Cario
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1648 - 1652
• a: 12.528 ± 0.003 Å
• b: 18.852 ± 0.004 Å
• c: 6.0896 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1438.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No