Materials Data on Cu3Au by Materials Project

Abstract

Cu3Au is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au is bonded to twelve equivalent Cu atoms to form AuCu12 cuboctahedra that share corners with twelve equivalent AuCu12 cuboctahedra, edges with twenty-four equivalent CuCu8Au4 cuboctahedra, faces with six equivalent AuCu12 cuboctahedra, and faces with twelve equivalent CuCu8Au4 cuboctahedra. All Au–Cu bond lengths are 2.67 Å. Cu is bonded to four equivalent Au and eight equivalent Cu atoms to form distorted CuCu8Au4 cuboctahedra that share corners with twelve equivalent CuCu8Au4 cuboctahedra, edges with eight equivalent AuCu12 cuboctahedra, edges with sixteen equivalent CuCu8Au4 cuboctahedra, faces with four equivalent AuCu12 cuboctahedra, and faces with fourteen equivalent CuCu8Au4 cuboctahedra. All Cu–Cu bond lengths are 2.67 Å.