Materials Data on K3VO5 by Materials Project

Abstract

K3VO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.69–3.31 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.71–3.14 Å. In the third K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.69–3.03 Å. V is bonded in a tetrahedral geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.73–1.80 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four K and one V atom. In the second O site, O is bonded to five K atoms to form corner-sharing OK5 trigonal bipyramids. In the third O site, O is bonded in a distorted single-bond geometry to five K and one V atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four K and one V atom. In the fifth O site, O is bonded in a distorted single-bond geometry to four K and one V atom.