Materials Data on VIr by Materials Project

Abstract

IrV is beta-prime cadmium gold-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to one V and eight Ir atoms. The V–V bond length is 2.62 Å. There are a spread of V–Ir bond distances ranging from 2.62–2.73 Å. In the second V site, V is bonded in a distorted body-centered cubic geometry to eight Ir atoms. There are a spread of V–Ir bond distances ranging from 2.57–2.66 Å. In the third V site, V is bonded to four V and eight Ir atoms to form a mixture of distorted corner and face-sharing VV4Ir8 cuboctahedra. There are a spread of V–V bond distances ranging from 2.55–2.77 Å. There are a spread of V–Ir bond distances ranging from 2.69–2.79 Å. In the fourth V site, V is bonded in a 12-coordinate geometry to two equivalent V and eight Ir atoms. There are a spread of V–Ir bond distances ranging from 2.61–2.74 Å. There are four inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms. In the second Ir site, Ir is bonded in a 12-coordinate geometry to eight V atoms. In the third Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms. In the fourth Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms.