Information card for entry 2008023

Structure parameters

• Common name: tripotassium-tantalum-tetrasulfide
• Formula: K3 S4 Ta
• Calculated formula: K3 S4 Ta
• SMILES: [Ta](=S)([S-])([S-])[S-].[K+].[K+].[K+]
• Title of publication: K~3~Ta S~4~
• Authors of publication: Herzog, Sabine; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1742 - 1744
• a: 9.315 ± 0.002 Å
• b: 10.849 ± 0.002 Å
• c: 9.407 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 950.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 1.103
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No