Information card for entry 2011373

Structure parameters

• Common name: Cesium-tantalum-sulfide
• Formula: Cs6 S22 Ta4
• Calculated formula: Cs6 S22 Ta4
• SMILES: [Ta]12([S-])(SS1)(SS2)[S]1[Ta]2(S1)(SS2)([S-])SS[Ta]12([S]([Ta]34([S-])(SS3)SS4)S1)(SS2)[S-].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+]
• Title of publication: Cs~6~Ta~4~S~22~
• Authors of publication: Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: e368 - e369
• a: 12.1251 ± 0.001 Å
• b: 8.132 ± 0.0005 Å
• c: 19.5195 ± 0.0015 Å
• α: 90°
• β: 103.23 ± 0.009°
• γ: 90°
• Cell volume: 1873.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes