Materials Data on VAg3O4 by Materials Project

Abstract

Ag3VO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.75 Å) and two longer (1.78 Å) V–O bond length. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.18–2.60 Å. In the second Ag1+ site, Ag1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.31 Å) and two longer (2.50 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one V5+ and three Ag1+ atoms to form distorted corner-sharing OVAg3 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one V5+ and three Ag1+ atoms.