Information card for entry 7045075

Structure parameters

• Chemical name: Ba(VO2F)(SeO3)
• Formula: Ba F O5 Se V
• Calculated formula: Ba F O5 Se V
• Title of publication: A(VO₂F)(SeO₃) (A = Sr, Ba) and Ba(MOF₂)(TeO₄) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d⁰-TM octahedron.
• Authors of publication: Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1513 - 1519
• a: 10.0539 ± 0.0006 Å
• b: 8.3967 ± 0.0005 Å
• c: 13.1744 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1112.18 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No