Information card for entry 2205375

Structure parameters

• Chemical name: tetrapotassium tetratantalum tetraphosphorus tetracosasulfide
• Formula: K2 P2 S12 Ta2
• Calculated formula: K2 P2 S12 Ta2
• SMILES: [Ta+5].[Ta+5].[S-]P(=S)([S-])[S-].[S-][S-].[S-2].[S-]P(=S)([S-])[S-].[S-2].[K+].[K+]
• Title of publication: K~4~Ta~4~P~4~S~24~
• Authors of publication: Gutzmann, Andreas; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: i20 - i22
• a: 13.6193 ± 0.0007 Å
• b: 17.7307 ± 0.0013 Å
• c: 15.8077 ± 0.0009 Å
• α: 90°
• β: 108.356 ± 0.006°
• γ: 90°
• Cell volume: 3623 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0408
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes