Information card for entry 4324292

Structure parameters

• Common name: Diniobium(V)-dioxide-tris(sulfate)
• Formula: Nb2 O14 S3
• Calculated formula: Nb2 O14 S3
• SMILES: [Nb]=O.[Nb]=O.S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-]
• Title of publication: Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2
• Authors of publication: Ulf Betke; Mathias S. Wickleder
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 858 - 872
• a: 9.9589 ± 0.0007 Å
• b: 11.7983 ± 0.0007 Å
• c: 8.6065 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1011.25 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No