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- Title
Resolving the structure of V<sub>3</sub>O<sub>7</sub>·H<sub>2</sub>O and Mo‐substituted V<sub>3</sub>O<sub>7</sub>·H<sub>2</sub>O.
- Authors
Schoiber, Jürgen; Söllinger, Daniela; Baran, Volodymyr; Diemant, Thomas; Redhammer, Günther J.; Behm, R. Jurgen; Pokrant, Simone
- Abstract
Vanadate compounds, such as V3O7·H2O, are of high interest due to their versatile applications as electrode material for metal‐ion batteries. In particular, V3O7·H2O can insert different ions such as Li+, Na+, K+, Mg2+ and Zn2+. In that case, well resolved crystal structure data, such as crystal unit‐cell parameters and atom positions, are needed in order to determine the structural information of the inserted ions in the V3O7·H2O structure. In this work, fundamental crystallographic parameters, i.e. atomic displacement parameters, are determined for the atoms in the V3O7·H2O structure. Furthermore, vanadium ions were substituted by molybdenum in the V3O7·H2O structure [(V2.85Mo0.15)O7·H2O] and the crystallographic positions of the molybdenum ions and their oxidation state are elucidated.
- Subjects
ATOMIC displacements; IONIC structure; OXIDATION states; CRYSTAL structure; X-ray powder diffraction; MOLYBDENUM ions
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2022, Vol 78, Issue 4, p637
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520622006473