Information card for entry 2109008

Structure parameters

• Formula: H2 Mo0.15 O8 V2.85
• Calculated formula: H2 Mo0.15692 O8 V2.84308
• 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: 16.879 ± 0.0012 Å
• b: 9.3325 ± 0.0005 Å
• c: 3.64357 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 573.95 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 7.0756
• Method of determination: powder diffraction
• Diffraction radiation type: 'CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes