Information card for entry 4325422

Structure parameters

• Formula: Ba Ga0.5 S2
• Calculated formula: Ba Ga0.5 S2
• 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: 12.739 ± 0.005 Å
• b: 6.201 ± 0.002 Å
• c: 19.83 ± 0.008 Å
• α: 90°
• β: 104.254 ± 0.006°
• γ: 90°
• Cell volume: 1518.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No