Materials Data on GaCu3 by Materials Project

Abstract

Cu3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu is bonded to eight equivalent Cu and four equivalent Ga atoms to form CuGa4Cu8 cuboctahedra that share corners with twelve equivalent CuGa4Cu8 cuboctahedra, edges with eight equivalent GaCu12 cuboctahedra, edges with sixteen equivalent CuGa4Cu8 cuboctahedra, faces with four equivalent GaCu12 cuboctahedra, and faces with fourteen equivalent CuGa4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.61 Å. All Cu–Ga bond lengths are 2.61 Å. Ga is bonded to twelve equivalent Cu atoms to form GaCu12 cuboctahedra that share corners with twelve equivalent GaCu12 cuboctahedra, edges with twenty-four equivalent CuGa4Cu8 cuboctahedra, faces with six equivalent GaCu12 cuboctahedra, and faces with twelve equivalent CuGa4Cu8 cuboctahedra.