Information card for entry 4001681

Structure parameters

• Formula: Cd4 Ga5 Rb S12
• Calculated formula: Cd4.0005 Ga4.98 Rb S12
• Title of publication: Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)
• Authors of publication: Lin, Hua; Zhou, Liu-Jiang; Chen, Ling
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 17
• Pages of publication: 3406
• a: 13.8071 ± 0.0006 Å
• b: 13.8071 ± 0.0006 Å
• c: 9.3492 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1543.51 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No