Materials Data on Cu3Rh by Materials Project

Abstract

Cu3Rh is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rh is bonded to twelve Cu atoms to form RhCu12 cuboctahedra that share corners with four equivalent RhCu12 cuboctahedra, corners with eight equivalent CuCu8Rh4 cuboctahedra, edges with eight equivalent RhCu12 cuboctahedra, edges with sixteen equivalent CuCu8Rh4 cuboctahedra, faces with four equivalent RhCu12 cuboctahedra, and faces with fourteen CuCu8Rh4 cuboctahedra. There are eight shorter (2.60 Å) and four longer (2.63 Å) Rh–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Rh and eight Cu atoms to form distorted CuCu8Rh4 cuboctahedra that share corners with twelve equivalent CuCu8Rh4 cuboctahedra, edges with eight equivalent RhCu12 cuboctahedra, edges with sixteen CuCu8Rh4 cuboctahedra, faces with four equivalent RhCu12 cuboctahedra, and faces with fourteen CuCu8Rh4 cuboctahedra. There are four shorter (2.60 Å) and four longer (2.63 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to four equivalent Rh and eight equivalent Cu atoms to form CuCu8Rh4 cuboctahedra that share corners with four equivalent CuCu8Rh4 cuboctahedra, corners with eight equivalent RhCu12 cuboctahedra, edges with twenty-four CuCu8Rh4 cuboctahedra, faces with six equivalent RhCu12 cuboctahedra, and faces with twelve CuCu8Rh4 cuboctahedra.