Information card for entry 4101693

Structure parameters

• Formula: As K3 S11 Ta2
• Calculated formula: As K3 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: 14.2571 ± 0.0007 Å
• b: 12.4154 ± 0.0007 Å
• c: 9.4505 ± 0.0005 Å
• α: 90°
• β: 100.12 ± 0.004°
• γ: 90°
• Cell volume: 1646.78 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No