CuPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(1) atoms to form CuPb12 cuboctahedra that share corners with four equivalent Cu(1)Pb12 cuboctahedra, corners with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, edges with eight equivalent Cu(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(1)Cu4Pb8 cuboctahedra, faces with four equivalent Cu(1)Pb12 cuboctahedra, faces with six equivalent Pb(2)Cu4Pb8 cuboctahedra, and faces with eight equivalent Pb(1)Cu4Pb8 cuboctahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Cu(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form distorted PbCu4Pb8 cuboctahedra that share corners with twelve equivalent Pb(1)Cu4Pb8 cuboctahedra, edges with eight equivalent Cu(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Cu4Pb8 cuboctahedra, edges with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, faces with four equivalent Cu(1)Pb12 cuboctahedra, faces with four equivalent Pb(2)Cu4Pb8 cuboctahedra, and faces with ten equivalent Pb(1)Cu4Pb8 cuboctahedra. In the second Pb site, Pb(2) is bonded to four equivalent Cu(1) and eight equivalent Pb(1) atoms to form PbCu4Pb8 cuboctahedra that share corners with four equivalent Pb(2)Cu4Pb8 cuboctahedra, corners with eight equivalent Cu(1)Pb12 cuboctahedra, edges with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, edges with sixteen equivalent Pb(1)Cu4Pb8 cuboctahedra, faces with four equivalent Pb(2)Cu4Pb8 cuboctahedra, faces with six equivalent Cu(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(1)Cu4Pb8 cuboctahedra.
CuPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Cu(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(1) atoms to form CuPb12 cuboctahedra that share corners with four equivalent Cu(1)Pb12 cuboctahedra, corners with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, edges with eight equivalent Cu(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(1)Cu4Pb8 cuboctahedra, faces with four equivalent Cu(1)Pb12 cuboctahedra, faces with six equivalent Pb(2)Cu4Pb8 cuboctahedra, and faces with eight equivalent Pb(1)Cu4Pb8 cuboctahedra. All Cu(1)-Pb(2) bond lengths are 3.40 Å. All Cu(1)-Pb(1) bond lengths are 3.33 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Cu(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form distorted PbCu4Pb8 cuboctahedra that share corners with twelve equivalent Pb(1)Cu4Pb8 cuboctahedra, edges with eight equivalent Cu(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Cu4Pb8 cuboctahedra, edges with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, faces with four equivalent Cu(1)Pb12 cuboctahedra, faces with four equivalent Pb(2)Cu4Pb8 cuboctahedra, and faces with ten equivalent Pb(1)Cu4Pb8 cuboctahedra. All Pb(1)-Pb(1) bond lengths are 3.40 Å. All Pb(1)-Pb(2) bond lengths are 3.33 Å. In the second Pb site, Pb(2) is bonded to four equivalent Cu(1) and eight equivalent Pb(1) atoms to form PbCu4Pb8 cuboctahedra that share corners with four equivalent Pb(2)Cu4Pb8 cuboctahedra, corners with eight equivalent Cu(1)Pb12 cuboctahedra, edges with eight equivalent Pb(2)Cu4Pb8 cuboctahedra, edges with sixteen equivalent Pb(1)Cu4Pb8 cuboctahedra, faces with four equivalent Pb(2)Cu4Pb8 cuboctahedra, faces with six equivalent Cu(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(1)Cu4Pb8 cuboctahedra.