Information card for entry 4340863

Structure parameters

• Formula: F4 H2 Na O2 V
• Calculated formula: F4 H2 Na O2 V
• SMILES: F[V](=O)(F)(F)F.[Na+].O
• Title of publication: Syntheses of two vanadium oxide-fluoride materials that differ in phase matchability.
• Authors of publication: Donakowski, Martin D.; Gautier, Romain; Lu, Hongcheng; Tran, T. Thao; Cantwell, Jacqueline R.; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 765 - 772
• a: 9.9595 ± 0.0004 Å
• b: 9.4423 ± 0.0003 Å
• c: 4.8186 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 453.14 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 5
• 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: 0.0121
• Residual factor for significantly intense reflections: 0.0117
• Weighted residual factors for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No