Information card for entry 4343620

Structure parameters

• Formula: Ba2 H O9 V3
• Calculated formula: Ba2 H O9 V3
• Title of publication: Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates: Ba2M(VO4)2(OH), M = V(3+), Mn(3+), and Fe(3+), with Interesting Jahn-Teller and Spin-Liquid Behavior.
• Authors of publication: Sanjeewa, Liurukara D.; McGuire, Michael A.; Garlea, Vasile O.; Hu, Longyu; Chumanov, George; McMillen, Colin D.; Kolis, Joseph W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 7014 - 7020
• a: 7.8783 ± 0.0016 Å
• b: 6.1369 ± 0.0012 Å
• c: 9.1836 ± 0.0018 Å
• α: 90°
• β: 113.07 ± 0.03°
• γ: 90°
• Cell volume: 408.5 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No