Information card for entry 7030072

Structure parameters

• Formula: Ba4 F4 Fe Ga2 S6
• Calculated formula: Ba4 F4 Fe Ga2 S6
• Title of publication: Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.
• Authors of publication: Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 27
• Pages of publication: 9938 - 9945
• a: 12.694 ± 0.008 Å
• b: 18.867 ± 0.013 Å
• c: 6.116 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1464.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No