Topology and symmetry analysis of the Sr2VO(VO4)2 family exhibiting magnetic properties and prediction of structures with different orderings of vanadyl bonds

Abstract

A topology and symmetry analysis of structures of the Sr-vanadyl-vanadate family Sr 2 VO(VO 4 ) 2 with a quasi one dimensional spin system, which is responsible for magnetic properties, is performed. Based on the known structure with space group I2/a, structures belonging to its subgroups with ordered vanadyl bonds in octahedra containing the magnetic V +4 ion are derived. Structures with a polar orientation of vanadyl bonds in chains of octahedra correspond to space groups P2 1 /c, P2/c, and Pc, and structures with a nonpolar orientation of vanadyl bonds correspond to space groups P2/a, P2, and P2/n. Variants of disorder ing of vanadyl bonds over two directions, namely, along the b and a axes, are considered for all structures. The predicted structures can be used for the diagnostics of phases obtained in this family and as initial information necessary for studies of magnetic properties of crystals.

Gladstone–Dale compatibility, electronic polarizability and vibrational spectroscopy of minerals and inorganic compounds with V4+O and V4+O2 vanadyl groups

“…The inorganic crystal chemistry of vanadium-containing compounds is very rich because of the different oxidation states of vanadium, different types of polyhedra and kinds of their stacking (Leigh & de Souza, 1996;Zavalij & Whittingham, 1999;Sergienko, 2004;Schindler et al, 2000b). Among them, oxysalts with vanadyl groups (Ballhausen & Gray, 1962) attract interest because of possible magnetic (Belokoneva & Shagivaleeva, 2012;Villeneuve et al, 1989;Papoutsakis et al, 1996;Ferlay et al, 1999) and optical (Sun et al, 2011;Phillips et al, 1990) properties.…”