Cu3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to eight equivalent Cu(2) and four equivalent Sb(1) atoms. In the second Cu site, Cu(2) is bonded to four equivalent Cu(1), four equivalent Cu(2), and four equivalent Sb(1) atoms to form distorted CuCu8Sb4 cuboctahedra that share corners with four equivalent Sb(1)Cu12 cuboctahedra, corners with ten equivalent Cu(2)Cu8Sb4 cuboctahedra, edges with six equivalent Cu(2)Cu8Sb4 cuboctahedra, edges with six equivalent Sb(1)Cu12 cuboctahedra, faces with four equivalent Sb(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(2)Cu8Sb4 cuboctahedra. Sb(1) is bonded to four equivalent Cu(1) and eight equivalent Cu(2) atoms to form SbCu12 cuboctahedra that share corners with two equivalent Sb(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Cu8Sb4 cuboctahedra, edges with six equivalent Sb(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(2)Cu8Sb4 cuboctahedra, faces with six equivalent Sb(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(2)Cu8Sb4 cuboctahedra.
Cu3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 12-coordinate geometry to eight equivalent Cu(2) and four equivalent Sb(1) atoms. There are a spread of Cu(1)-Cu(2) bond distances ranging from 2.62-3.09 Å. There are two shorter (2.76 Å) and two longer (2.83 Å) Cu(1)-Sb(1) bond lengths. In the second Cu site, Cu(2) is bonded to four equivalent Cu(1), four equivalent Cu(2), and four equivalent Sb(1) atoms to form distorted CuCu8Sb4 cuboctahedra that share corners with four equivalent Sb(1)Cu12 cuboctahedra, corners with ten equivalent Cu(2)Cu8Sb4 cuboctahedra, edges with six equivalent Cu(2)Cu8Sb4 cuboctahedra, edges with six equivalent Sb(1)Cu12 cuboctahedra, faces with four equivalent Sb(1)Cu12 cuboctahedra, and faces with twelve equivalent Cu(2)Cu8Sb4 cuboctahedra. There are a spread of Cu(2)-Cu(2) bond distances ranging from 2.63-2.77 Å. There are a spread of Cu(2)-Sb(1) bond distances ranging from 2.75-2.89 Å. Sb(1) is bonded to four equivalent Cu(1) and eight equivalent Cu(2) atoms to form SbCu12 cuboctahedra that share corners with two equivalent Sb(1)Cu12 cuboctahedra, corners with eight equivalent Cu(2)Cu8Sb4 cuboctahedra, edges with six equivalent Sb(1)Cu12 cuboctahedra, edges with twelve equivalent Cu(2)Cu8Sb4 cuboctahedra, faces with six equivalent Sb(1)Cu12 cuboctahedra, and faces with eight equivalent Cu(2)Cu8Sb4 cuboctahedra.