Materials Data on VCoAs by Materials Project

Abstract

VCoAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V2+ is bonded to five equivalent As3- atoms to form distorted VAs5 square pyramids that share corners with eight equivalent VAs5 square pyramids, corners with eight equivalent CoAs4 tetrahedra, edges with six equivalent VAs5 square pyramids, and edges with six equivalent CoAs4 tetrahedra. There are a spread of V–As bond distances ranging from 2.51–2.65 Å. Co1+ is bonded to four equivalent As3- atoms to form CoAs4 tetrahedra that share corners with eight equivalent VAs5 square pyramids, corners with eight equivalent CoAs4 tetrahedra, edges with six equivalent VAs5 square pyramids, and edges with two equivalent CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.32–2.34 Å. As3- is bonded in a 9-coordinate geometry to five equivalent V2+ and four equivalent Co1+ atoms.