Information card for entry 7242250

Structure parameters

• Formula: Cd0.19 Cl0.61 Ga0.5 La1.5 S2.89
• Calculated formula: Cd0.1865 Cl0.5175 Ga0.5002 La1.5 S2.9825
• Title of publication: La6Cd0.75Ga2Q11.5Cl2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold
• Authors of publication: Lin, Feng; Luo, Mengjia; Wang, Ruiqi; Che, Xiangli; Huang, Fuqiang
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 2133 - 2137
• a: 10.1788 ± 0.0003 Å
• b: 10.1788 ± 0.0003 Å
• c: 6.0633 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 544.04 ± 0.03 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections included in the refinement: 0.0352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No