Materials Data on Ga2Ir by Materials Project

Abstract

IrGa2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.55–2.75 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.48–2.79 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four Ir and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.84 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Ir atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to six Ir and one Ga atom. The Ga–Ga bond length is 2.54 Å. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to five Ir and five Ga atoms.