Information card for entry 4312366

Structure parameters

• Formula: K8 O27 S6 V2
• Calculated formula: K8 O27 S6 V2
• SMILES: [V]12(O[V](=O)(OS(=O)(=O)O2)(OS(=O)(=O)O1)(OS(=O)(=O)[O-])OS(=O)(=O)[O-])(=O)(OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
• Title of publication: Crystal Structure and Spectroscopic Characterization of K8(VO)2O(SO4)6
• Authors of publication: Søren B. Rasmussen; Rikke Mattsson Rasmussen; Rasmus Fehrmann; Kurt Nielsen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7123 - 7128
• a: 13.5973 ± 0.0009 Å
• b: 13.9288 ± 0.0009 Å
• c: 14.0516 ± 0.0009 Å
• α: 90°
• β: 90.286 ± 0.001°
• γ: 90°
• Cell volume: 2661.3 ± 0.3 ų
• Cell temperature: 568 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No