Information card for entry 4341700

Structure parameters

• Common name: Ba2Ga8SiS16
• Formula: Ba2 Ga8 S16 Si
• Calculated formula: Ba2 Ga7.98 S16 Si1.02
• Title of publication: Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge).
• Authors of publication: Liu, Bin-Wen; Zeng, Hui-Yi; Zhang, Ming-Jian; Fan, Yu-Hang; Guo, Guo-Cong; Huang, Jin-Shun; Dong, Zhen-Chao
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 976 - 981
• a: 10.866 ± 0.005 Å
• b: 10.866 ± 0.005 Å
• c: 11.919 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1218.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No