Information card for entry 7134410

Structure parameters

• Formula: Cs Ga5 Mg S9
• Calculated formula: Cs Ga5 Mg S9
• Title of publication: CsMgGa5S9: a diamond-like network made of mixed tetrahedral units for excellent nonlinear optical properties
• Authors of publication: Huang, Yi-Bing; Liu, Bin-Wen; Guo, Guo-Cong
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 42
• Pages of publication: 7608 - 7611
• a: 8.9771 ± 0.0003 Å
• b: 9.6445 ± 0.0003 Å
• c: 9.7174 ± 0.0002 Å
• α: 95.806 ± 0.002°
• β: 115.504 ± 0.003°
• γ: 93.64 ± 0.002°
• Cell volume: 750.06 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No