Information card for entry 4101695

Structure parameters

• Formula: As Cs3 S11 Ta2
• Calculated formula: As Cs3 S11 Ta2
• Title of publication: Strong second harmonic generation from the tantalum thioarsenates A3Ta2AsS11 (A = K and Rb).
• Authors of publication: Bera, Tarun K.; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 1
• Pages of publication: 75 - 77
• a: 9.5967 ± 0.0007 Å
• b: 13.5926 ± 0.0007 Å
• c: 14.716 ± 0.001 Å
• α: 90°
• β: 98.876 ± 0.006°
• γ: 90°
• Cell volume: 1896.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No