Information card for entry 4002155

Structure parameters

• Formula: Ga2 Pb Se6 Si
• Calculated formula: Ga2 Pb Se6 Si
• Title of publication: PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals
• Authors of publication: Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 914
• a: 7.188 ± 0.005 Å
• b: 23.171 ± 0.019 Å
• c: 7.044 ± 0.005 Å
• α: 90°
• β: 116.25 ± 0.03°
• γ: 90°
• Cell volume: 1052.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No