Information card for entry 4305862

Structure parameters

• Formula: Ba3 O8 V2
• Calculated formula: Ba3 O8 V2
• SMILES: O=[V]([O-])([O-])[O-].[Ba+2].[Ba+2].[Ba+2].O=[V]([O-])([O-])[O-]
• Title of publication: Isolation of Two-Dimensional 2:1 Cation-Ordered Perovskite Units by Anion Vacancy Ordering in Ba6Na2Nb2P2O17
• Authors of publication: Xiaojun Kuang; John B. Claridge; Tim Price; David M. Iddles; Matthew J. Rosseinsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8444 - 8450
• a: 5.79067 ± 0.0002 Å
• b: 5.79067 Å
• c: 21.321 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 619.15 ± 0.04 ų
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Goodness-of-fit parameter for all reflections: 1.54
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No