Information card for entry 4002867

Structure parameters

• Common name: Rb4Ge4Se12
• Formula: Ge4 Rb4 Se12
• Calculated formula: Ge4 Rb4 Se12
• Title of publication: Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs)
• Authors of publication: Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 9200
• a: 14.87 ± 0.008 Å
• b: 13.8 ± 0.008 Å
• c: 12.445 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2554 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No