Information card for entry 4303995

Structure parameters

• Formula: Ba4 Fe2 I5 S4
• Calculated formula: Ba4 Fe2 I5 S4
• Title of publication: Syntheses, Structure, and a Mössbauer and Magnetic Study of Ba4Fe2I5S4
• Authors of publication: Danielle L. Gray; Gary J. Long; Fernande Grandjean; Raphaël P. Hermann; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 94 - 100
• a: 13.7583 ± 0.0013 Å
• b: 13.7583 ± 0.0013 Å
• c: 5.1261 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 970.32 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 2.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No