Information card for entry 2004960

Structure parameters

• Chemical name: barium decavanadate enneahydrate
• Formula: Ba3 H6 O31 V10
• Calculated formula: Ba3 O47 V10
• SMILES: [V]1234([O]5678[V]9%10%11([O]%12[V]%13%14%15([O]9[V]9%16%177O[V]5(O[V]6(O2)(O%11)(O[V]258%12[O]67%139[V]8([O]3%16)([O]42)(O[V]6(O[V]7(O%15)(O8)(O%17)=O)(O%14)(O5)=O)=O)=O)(O1)(O%10)=O)=O)=O)=O.[Ba+2].[Ba+2].O.O.O.O.O.O.O.O.O.O.[Ba+2].O.O.O.O.O.O.O.O.O
• Title of publication: Ba~3~[V~10~O~28~].19H~2~O
• Authors of publication: Kamenar, B.; Cindrić, M.; Strukan, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1338 - 1341
• a: 9.491 ± 0.003 Å
• b: 12.201 ± 0.006 Å
• c: 18.786 ± 0.012 Å
• α: 81.27 ± 0.03°
• β: 81.02 ± 0.02°
• γ: 71.12 ± 0.02°
• Cell volume: 2021.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.1869
• Weighted residual factors for significantly intense reflections: 0.1557
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No