Information card for entry 2204816

Structure parameters

• Common name: Tricesium tantalum tetrasulfide
• Chemical name: Tricesium tantalum tetrasulfide
• Formula: Cs3 S4 Ta
• Calculated formula: Cs3 S4 Ta
• SMILES: [Ta](=S)([S-])([S-])[S-].[Cs+].[Cs+].[Cs+]
• Title of publication: Cs~3~TaS~4~
• Authors of publication: Deng, Bin; Ibers, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: i147 - i148
• a: 9.9205 ± 0.0008 Å
• b: 11.507 ± 0.001 Å
• c: 9.9406 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1134.77 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0257
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes