Information card for entry 8100092

Structure parameters

• Formula: H Nb4 O22.5 S4
• Calculated formula: Nb4 O22.5 S4
• SMILES: [Nb]12O[Nb]3O[Nb]4O[Nb](O1)O[Nb]1O[Nb](O2)O[Nb](O3)O[Nb](O1)O4.S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].O
• Title of publication: Refinement of the crystal structure of diniobium trisoxydisulfate hydrate, Nb~2~O~3~(SO~4~)~2~ ̇0.25H~2~O
• Authors of publication: Ewald, Bastian; Prots, Yurii; Boström, Magnus
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 89 - 90
• a: 10.3783 ± 0.0015 Å
• b: 10.3783 ± 0.0015 Å
• c: 26.54 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2475.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No