Information card for entry 1572222

Structure parameters

• Common name: K4HgGa9S16Cl
• Formula: Cl Ga9 Hg K4 S16
• Calculated formula: Cl Ga9 Hg K4 S16
• Title of publication: Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.
• Authors of publication: Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 13753 - 13759
• a: 8.4316 ± 0.0003 Å
• b: 9.8787 ± 0.0004 Å
• c: 9.8986 ± 0.0004 Å
• α: 68.22 ± 0.004°
• β: 74.878 ± 0.003°
• γ: 84.986 ± 0.003°
• Cell volume: 739.08 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No