Information card for entry 1519091

Structure parameters

• Formula: K4 Nb2 S9.5 Se1.5
• Calculated formula: K4 Nb2 S9.54 Se1.46
• 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: 8.016 ± 0.001 Å
• b: 8.788 ± 0.001 Å
• c: 13.186 ± 0.001 Å
• α: 71.42 ± 0.01°
• β: 89.16 ± 0.01°
• γ: 86.49 ± 0.01°
• Cell volume: 878.81 ± 0.17 ų
• Ambient diffraction temperature: 293 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: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No