Information card for entry 4114011

Structure parameters

• Chemical name: potassium mercury germanium sulfide (2/3/2/8)
• Formula: Ge2 Hg3 K2 S8
• Calculated formula: Ge Hg1.5 K S4
• Title of publication: α- and β-A2Hg3M2S8 (A = K, Rb; M = Ge, Sn): Polar Quaternary Chalcogenides with Strong Nonlinear Optical Response
• Authors of publication: J.-H. Liao; G. M. Marking; K. F. Hsu; Y. Matsushita; M. D. Ewbank; R. Borwick; P. Cunningham; M. J. Rosker; M. G. Kanatzidis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9484 - 9493
• a: 9.5948 ± 0.0007 Å
• b: 8.3608 ± 0.0006 Å
• c: 9.6638 ± 0.0007 Å
• α: 90°
• β: 94.637 ± 0.001°
• γ: 90°
• Cell volume: 772.69 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No