Information card for entry 2239016

Structure parameters

• Common name: Potassium niobium tris(disulfide) tantalum thiophosphate
• Chemical name: <i>catena</i>-Poly[potassium [tri-μ-disulfido-μ-tetrathiophosphato-di[niobate(IV)/tantalate(IV)(0.885/0.115)]]]
• Formula: K Nb1.77 P S10 Ta0.23
• Calculated formula: K Nb1.7718 P S10 Ta0.2282
• Title of publication: The mixed-metal tris(disulfide) thiophosphate, KNb~1.77~Ta~0.23~PS~10~
• Authors of publication: Lee, Yoonjeong; Yoon, Woojin; Yun, Hoseop
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: i8
• a: 13.0049 ± 0.0003 Å
• b: 7.5262 ± 0.0002 Å
• c: 13.3616 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1307.8 ± 0.05 ų
• Cell temperature: 290 ± 1 K
• Ambient diffraction temperature: 290 ± 1 K
• Number of distinct elements: 5
• 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: 0.021
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes