Information card for entry 2109007

Structure parameters

• Formula: H2 O8 V3
• Calculated formula: H2 O8 V3
• Title of publication: Resolving the structure of V~3~O~7~·H~2~O and Mo-substituted V~3~O~7~·H~2~O
• Authors of publication: Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• a: 16.8658 ± 0.0005 Å
• b: 9.3282 ± 0.0003 Å
• c: 3.63523 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 571.92 ± 0.03 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor R(I) for significantly intense reflections: 4.6453
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5482 Å
• Diffraction radiation type: ConstantWavelengthNeutronDiffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes