Information card for entry 4324723

Structure parameters

• Formula: Ba2 Bi Fe S5
• Calculated formula: Ba2 Bi Fe S5
• SMILES: [Fe]1([S-])(S[Bi]([S-])S1)[S-].[Ba+2].[Ba+2]
• Title of publication: Syntheses, Crystal and Electronic Structures, and Characterizations of Quaternary Antiferromagnetic Sulfides: Ba2MFeS5 (M = Sb, Bi)
• Authors of publication: Lei Geng; Wen-Dan Cheng; Hao Zhang; Chen-Sheng Lin; Wei-Long Zhang; Ye-Yu Li; Zhang-Zhen He
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2378 - 2384
• a: 12.121 ± 0.005 Å
• b: 8.913 ± 0.004 Å
• c: 8.837 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 954.7 ± 0.7 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: 0.036
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No