Information card for entry 4002156

Structure parameters

• Formula: Ga2 Ge Pb Se6
• Calculated formula: Ga2 Ge Pb Se6
• 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: 47.135 ± 0.016 Å
• b: 7.578 ± 0.003 Å
• c: 12.161 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4344 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No