Information card for entry 4030852

Structure parameters

• Formula: K6 Nb4 S25
• Calculated formula: K6 Nb4 S25
• SMILES: [K+].[K+].[K+].[K+].[K+].[K+].[Nb]123(SS1)(=S)S[S]2[Nb]12([S]3S1)(SS2)(=S)SSSSS[Nb]123(=S)S[S]1[Nb]14([S]3S2)(SS1)(SS4)=S
• Title of publication: K6Nb4S25, the first ternary niobium polysulfide exhibiting the complex anion [Nb4S25]6- : preparation and crystal structure determination
• Authors of publication: Bensch, W.; Durichen, P.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 33
• Pages of publication: 1233 - 1240
• a: 15.71 ± 0.003 Å
• b: 12.984 ± 0.003 Å
• c: 18.219 ± 0.004 Å
• α: 90°
• β: 104.03 ± 0.03°
• γ: 90°
• Cell volume: 3605.4 ± 1.4 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.48
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No