Information card for entry 4002730

Structure parameters

• Common name: NaGaIn2Se5
• Formula: Ga2 In4 Na2 Se10
• Calculated formula: Ga2.01 In3.99 Na2 Se10
• Title of publication: Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds
• Authors of publication: Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 1796
• a: 14.1 ± 0.007 Å
• b: 14.1 ± 0.007 Å
• c: 17.01 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2929 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No