Information card for entry 7127638

Structure parameters

• Formula: Ag3 Ga8 K Se14
• Calculated formula: Ag3 Ga8 K Se14
• Title of publication: A novel promising infrared nonlinear optical selenide KAg₃Ga₈Se₁₄ designed from benchmark AgGaQ₂ (Q = S, Se).
• Authors of publication: Li, Jia-Nuo; Yao, Wen-Dong; Li, Xiao-Hui; Liu, Wenlong; Xue, Huai-Guo; Guo, Sheng-Ping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1109 - 1112
• a: 12.8805 ± 0.0005 Å
• b: 11.6857 ± 0.0004 Å
• c: 9.66 ± 0.0004 Å
• α: 90°
• β: 115.998 ± 0.001°
• γ: 90°
• Cell volume: 1306.87 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No