Materials Data on VIr by Materials Project

Abstract

IrV crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to one V and eight equivalent Ir atoms. The V–V bond length is 2.54 Å. There are four shorter (2.62 Å) and four longer (2.71 Å) V–Ir bond lengths. In the second V site, V is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All V–Ir bond lengths are 2.59 Å. In the third V site, V is bonded to four V and eight equivalent Ir atoms to form a mixture of distorted corner and face-sharing VV4Ir8 cuboctahedra. Both V–V bond lengths are 2.78 Å. All V–Ir bond lengths are 2.77 Å. Ir is bonded in a 8-coordinate geometry to eight V atoms.