Information card for entry 2206810

Structure parameters

• Chemical name: tetrapotassium niobium tantalum undecasulfide
• Formula: K4 Nb1.04 S11 Ta0.96
• Calculated formula: K4 Nb1.042 S11 Ta0.958
• Title of publication: K~4~Nb~0.96~Ta~1.04~S~11~
• Authors of publication: Yuandong Wu; Christian Näther; Wolfgang Bensch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: i208 - i210
• a: 13.1554 ± 0.001 Å
• b: 7.452 ± 0.0004 Å
• c: 17.9508 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759.79 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes