Information card for entry 1519092

Structure parameters

• Formula: K4 Nb2 S8.9 Se2.1
• Calculated formula: K4 Nb2 S8.92 Se2.08
• Title of publication: Chemical reactivity of the [Nb2S11]4- anion: selective substitution of sulfur by selenium on a molecular level
• Authors of publication: Oliver Krause; Peter Durichen; Christian Nather; Wolfgang Bensch
• Journal of publication: Solid State Sciences
• Year of publication: 2000
• Journal volume: 2
• Pages of publication: 197 - 203
• a: 7.938 ± 0.001 Å
• b: 8.744 ± 0.003 Å
• c: 13.098 ± 0.002 Å
• α: 71.91 ± 0.02°
• β: 89.38 ± 0.01°
• γ: 86.85 ± 0.01°
• Cell volume: 862.9 ± 0.4 ų
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No