Information card for entry 7701046

Structure parameters

• Formula: Ba Ge O S2
• Calculated formula: Ba Ge O S2
• Title of publication: Synthesis, crystal structures and optical properties of noncentrosymmetric oxysulfides AeGeS₂O (Ae = Sr, Ba).
• Authors of publication: Zhang, Xian; Xiao, Yi; Wang, Ruiqi; Fu, Pengxiang; Zheng, Chong; Huang, Fuqiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14662 - 14668
• a: 4.84411 ± 0.00012 Å
• b: 8.41328 ± 0.00019 Å
• c: 12.0451 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 490.9 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.012
• Residual factor for significantly intense reflections: 0.012
• Weighted residual factors for significantly intense reflections: 0.0264
• Weighted residual factors for all reflections included in the refinement: 0.0264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No