Information card for entry 7710806

Structure parameters

• Common name: CsAg3Ga8Se14
• Formula: Ag3 Cs Ga8 Se14
• Calculated formula: Ag3 Cs Ga8 Se14
• Title of publication: AAg₃Ga₈Se₁₄ (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe₄ and GaSe₄ tetrahedrons.
• Authors of publication: Qiu, Zhi-Xin; Pei, Shao-Min; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 29
• Pages of publication: 11048 - 11053
• a: 12.9694 ± 0.0007 Å
• b: 11.7931 ± 0.0005 Å
• c: 9.7011 ± 0.0005 Å
• α: 90°
• β: 116.805 ± 0.005°
• γ: 90°
• Cell volume: 1324.34 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0237
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No