Information card for entry 4325421

Structure parameters

• Formula: Ba8 In4 S16
• Calculated formula: Ba8 In4 S16
• Title of publication: Contribution of Disulfide S22-Anions to the Crystal and Electronic Structures in Ternary Sulfides, Ba12In4S19, Ba4M2S8 (M = Ga, In)
• Authors of publication: Ji-Wei Liu; Peng Wang; Ling Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5706 - 5713
• a: 6.236 ± 0.002 Å
• b: 10.014 ± 0.004 Å
• c: 13.033 ± 0.005 Å
• α: 104.236 ± 0.006°
• β: 90.412 ± 0.004°
• γ: 91.052 ± 0.006°
• Cell volume: 788.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No