Information card for entry 4004052

Structure parameters

• Common name: K4CdGa9S16Cl
• Formula: Cd Cl Ga9 K4 S16
• Calculated formula: Cd Cl Ga9 K4 S16
• Title of publication: Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations
• Authors of publication: Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 8831 - 8837
• a: 8.4328 ± 0.0002 Å
• b: 9.8807 ± 0.0002 Å
• c: 9.9005 ± 0.0002 Å
• α: 68.215 ± 0.002°
• β: 74.887 ± 0.002°
• γ: 84.956 ± 0.002°
• Cell volume: 739.49 ± 0.03 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: 0.041
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No