Materials Data on KVO4 by Materials Project

Abstract

KVO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.44 Å. V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.68–2.03 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four equivalent K and one V atom. In the second O site, O is bonded in a single-bond geometry to two equivalent K and one V atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent V atoms. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K atoms.