Materials Data on Li2GaIr by Materials Project
Li2IrGa crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six equivalent Ir and four equivalent Ga atoms to form distorted LiGa4Ir6 tetrahedra that share corners with eighteen LiIr4 tetrahedra and faces with sixteen LiGa4Ir6 tetrahedra. All Li–Ir bond lengths are 3.00 Å. All Li–Ga bond lengths are 2.60 Å. In the second Li site, Li is bonded to four equivalent Ir atoms to form distorted LiIr4 tetrahedra that share corners with twenty-four LiIr4 tetrahedra and faces with four equivalent LiGa4Ir6 tetrahedra. All Li–Ir bond lengths are 2.60 Å. Ir is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.60 Å. Ga is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms.