Materials Data on VAsO5 by Materials Project

Abstract

VOAsO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent AsO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.61–1.86 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent VO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.64–1.78 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one As5+ atom.