Cu4Pd crystallizes in the tetragonal P4_2/m space group. Pd(1) is bonded to one Pd(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(3), and six equivalent Cu(4) atoms to form distorted PdCu11Pd cuboctahedra that share corners with three equivalent Cu(1)Cu10Pd2 cuboctahedra, corners with four equivalent Cu(3)Cu10Pd2 cuboctahedra, corners with five equivalent Pd(1)Cu11Pd cuboctahedra, edges with two equivalent Cu(1)Cu10Pd2 cuboctahedra, edges with two equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with two equivalent Cu(2)Cu8Pd4 cuboctahedra, edges with four equivalent Pd(1)Cu11Pd cuboctahedra, edges with fourteen equivalent Cu(4)Cu9Pd3 cuboctahedra, faces with two equivalent Pd(1)Cu11Pd cuboctahedra, faces with two equivalent Cu(1)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(2)Cu8Pd4 cuboctahedra, faces with six equivalent Cu(3)Cu10Pd2 cuboctahedra, and faces with six equivalent Cu(4)Cu9Pd3 cuboctahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Pd(1), two equivalent Cu(3), and eight equivalent Cu(4) atoms to form CuCu10Pd2 cuboctahedra that share corners with six equivalent Pd(1)Cu11Pd cuboctahedra, corners with six equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with four equivalent Pd(1)Cu11Pd cuboctahedra, edges with four equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with eight equivalent Cu(2)Cu8Pd4 cuboctahedra, edges with eight equivalent Cu(4)Cu9Pd3 cuboctahedra, faces with two equivalent Cu(1)Cu10Pd2 cuboctahedra, faces with four equivalent Pd(1)Cu11Pd cuboctahedra, faces with four equivalent Cu(3)Cu10Pd2 cuboctahedra, and faces with eight equivalent Cu(4)Cu9Pd3 cuboctahedra. In the second Cu site, Cu(2) is bonded to four equivalent Pd(1), four equivalent Cu(3), and four equivalent Cu(4) atoms to form distorted CuCu8Pd4 cuboctahedra that share corners with twelve equivalent Cu(4)Cu9Pd3 cuboctahedra, edges with four equivalent Pd(1)Cu11Pd cuboctahedra, edges with four equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with eight equivalent Cu(1)Cu10Pd2 cuboctahedra, edges with eight equivalent Cu(4)Cu9Pd3 cuboctahedra, faces with two equivalent Cu(2)Cu8Pd4 cuboctahedra, faces with four equivalent Pd(1)Cu11Pd cuboctahedra, faces with four equivalent Cu(3)Cu10Pd2 cuboctahedra, and faces with eight equivalent Cu(4)Cu9Pd3 cuboctahedra. In the third Cu site, Cu(3) is bonded to two equivalent Pd(1), one Cu(1), one Cu(3), two equivalent Cu(2), and six equivalent Cu(4) atoms to form CuCu10Pd2 cuboctahedra that share corners with three equivalent Cu(1)Cu10Pd2 cuboctahedra, corners with four equivalent Pd(1)Cu11Pd cuboctahedra, corners with five equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with two equivalent Pd(1)Cu11Pd cuboctahedra, edges with two equivalent Cu(1)Cu10Pd2 cuboctahedra, edges with two equivalent Cu(2)Cu8Pd4 cuboctahedra, edges with four equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with fourteen equivalent Cu(4)Cu9Pd3 cuboctahedra, faces with two equivalent Cu(1)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(3)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(2)Cu8Pd4 cuboctahedra, faces with six equivalent Pd(1)Cu11Pd cuboctahedra, and faces with six equivalent Cu(4)Cu9Pd3 cuboctahedra. In the fourth Cu site, Cu(4) is bonded to three equivalent Pd(1), one Cu(2), two equivalent Cu(1), three equivalent Cu(3), and three equivalent Cu(4) atoms to form distorted CuCu9Pd3 cuboctahedra that share corners with three equivalent Cu(2)Cu8Pd4 cuboctahedra, corners with nine equivalent Cu(4)Cu9Pd3 cuboctahedra, edges with two equivalent Cu(1)Cu10Pd2 cuboctahedra, edges with two equivalent Cu(2)Cu8Pd4 cuboctahedra, edges with six equivalent Cu(4)Cu9Pd3 cuboctahedra, edges with seven equivalent Pd(1)Cu11Pd cuboctahedra, edges with seven equivalent Cu(3)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(1)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(2)Cu8Pd4 cuboctahedra, faces with three equivalent Pd(1)Cu11Pd cuboctahedra, faces with three equivalent Cu(3)Cu10Pd2 cuboctahedra, and faces with eight equivalent Cu(4)Cu9Pd3 cuboctahedra.
Cu4Pd crystallizes in the tetragonal P4_2/m space group. Pd(1) is bonded to one Pd(1), one Cu(1), two equivalent Cu(2), two equivalent Cu(3), and six equivalent Cu(4) atoms to form distorted PdCu11Pd cuboctahedra that share corners with three equivalent Cu(1)Cu10Pd2 cuboctahedra, corners with four equivalent Cu(3)Cu10Pd2 cuboctahedra, corners with five equivalent Pd(1)Cu11Pd cuboctahedra, edges with two equivalent Cu(1)Cu10Pd2 cuboctahedra, edges with two equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with two equivalent Cu(2)Cu8Pd4 cuboctahedra, edges with four equivalent Pd(1)Cu11Pd cuboctahedra, edges with fourteen equivalent Cu(4)Cu9Pd3 cuboctahedra, faces with two equivalent Pd(1)Cu11Pd cuboctahedra, faces with two equivalent Cu(1)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(2)Cu8Pd4 cuboctahedra, faces with six equivalent Cu(3)Cu10Pd2 cuboctahedra, and faces with six equivalent Cu(4)Cu9Pd3 cuboctahedra. The Pd(1)-Pd(1) bond length is 2.71 Å. The Pd(1)-Cu(1) bond length is 2.61 Å. Both Pd(1)-Cu(2) bond lengths are 2.55 Å. There is one shorter (2.60 Å) and one longer (2.63 Å) Pd(1)-Cu(3) bond length. There are a spread of Pd(1)-Cu(4) bond distances ranging from 2.56-2.62 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Pd(1), two equivalent Cu(3), and eight equivalent Cu(4) atoms to form CuCu10Pd2 cuboctahedra that share corners with six equivalent Pd(1)Cu11Pd cuboctahedra, corners with six equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with four equivalent Pd(1)Cu11Pd cuboctahedra, edges with four equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with eight equivalent Cu(2)Cu8Pd4 cuboctahedra, edges with eight equivalent Cu(4)Cu9Pd3 cuboctahedra, faces with two equivalent Cu(1)Cu10Pd2 cuboctahedra, faces with four equivalent Pd(1)Cu11Pd cuboctahedra, faces with four equivalent Cu(3)Cu10Pd2 cuboctahedra, and faces with eight equivalent Cu(4)Cu9Pd3 cuboctahedra. Both Cu(1)-Cu(3) bond lengths are 2.56 Å. There are four shorter (2.55 Å) and four longer (2.56 Å) Cu(1)-Cu(4) bond lengths. In the second Cu site, Cu(2) is bonded to four equivalent Pd(1), four equivalent Cu(3), and four equivalent Cu(4) atoms to form distorted CuCu8Pd4 cuboctahedra that share corners with twelve equivalent Cu(4)Cu9Pd3 cuboctahedra, edges with four equivalent Pd(1)Cu11Pd cuboctahedra, edges with four equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with eight equivalent Cu(1)Cu10Pd2 cuboctahedra, edges with eight equivalent Cu(4)Cu9Pd3 cuboctahedra, faces with two equivalent Cu(2)Cu8Pd4 cuboctahedra, faces with four equivalent Pd(1)Cu11Pd cuboctahedra, faces with four equivalent Cu(3)Cu10Pd2 cuboctahedra, and faces with eight equivalent Cu(4)Cu9Pd3 cuboctahedra. All Cu(2)-Cu(3) bond lengths are 2.61 Å. All Cu(2)-Cu(4) bond lengths are 2.64 Å. In the third Cu site, Cu(3) is bonded to two equivalent Pd(1), one Cu(1), one Cu(3), two equivalent Cu(2), and six equivalent Cu(4) atoms to form CuCu10Pd2 cuboctahedra that share corners with three equivalent Cu(1)Cu10Pd2 cuboctahedra, corners with four equivalent Pd(1)Cu11Pd cuboctahedra, corners with five equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with two equivalent Pd(1)Cu11Pd cuboctahedra, edges with two equivalent Cu(1)Cu10Pd2 cuboctahedra, edges with two equivalent Cu(2)Cu8Pd4 cuboctahedra, edges with four equivalent Cu(3)Cu10Pd2 cuboctahedra, edges with fourteen equivalent Cu(4)Cu9Pd3 cuboctahedra, faces with two equivalent Cu(1)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(3)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(2)Cu8Pd4 cuboctahedra, faces with six equivalent Pd(1)Cu11Pd cuboctahedra, and faces with six equivalent Cu(4)Cu9Pd3 cuboctahedra. The Cu(3)-Cu(3) bond length is 2.55 Å. There are a spread of Cu(3)-Cu(4) bond distances ranging from 2.52-2.60 Å. In the fourth Cu site, Cu(4) is bonded to three equivalent Pd(1), one Cu(2), two equivalent Cu(1), three equivalent Cu(3), and three equivalent Cu(4) atoms to form distorted CuCu9Pd3 cuboctahedra that share corners with three equivalent Cu(2)Cu8Pd4 cuboctahedra, corners with nine equivalent Cu(4)Cu9Pd3 cuboctahedra, edges with two equivalent Cu(1)Cu10Pd2 cuboctahedra, edges with two equivalent Cu(2)Cu8Pd4 cuboctahedra, edges with six equivalent Cu(4)Cu9Pd3 cuboctahedra, edges with seven equivalent Pd(1)Cu11Pd cuboctahedra, edges with seven equivalent Cu(3)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(1)Cu10Pd2 cuboctahedra, faces with two equivalent Cu(2)Cu8Pd4 cuboctahedra, faces with three equivalent Pd(1)Cu11Pd cuboctahedra, faces with three equivalent Cu(3)Cu10Pd2 cuboctahedra, and faces with eight equivalent Cu(4)Cu9Pd3 cuboctahedra. There are two shorter (2.57 Å) and one longer (2.62 Å) Cu(4)-Cu(4) bond length.