Cu2NiZn is beta-derived structured and crystallizes in the trigonal R3m space group. Ni(1) is bonded to six equivalent Ni(1), three equivalent Cu(2), and three equivalent Zn(1) atoms to form distorted NiZn3Cu3Ni6 cuboctahedra that share corners with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, corners with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, edges with six equivalent Cu(2)Cu9Ni3 cuboctahedra, edges with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, faces with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, faces with six equivalent Cu(2)Cu9Ni3 cuboctahedra, and faces with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Cu(2), six equivalent Cu(1), and three equivalent Zn(1) atoms to form CuZn3Cu9 cuboctahedra that share corners with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, corners with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, edges with six equivalent Cu(2)Cu9Ni3 cuboctahedra, edges with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, faces with six equivalent Cu(2)Cu9Ni3 cuboctahedra, faces with six equivalent Cu(1)Zn3Cu9 cuboctahedra, and faces with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Ni(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form CuCu9Ni3 cuboctahedra that share corners with six equivalent Cu(2)Cu9Ni3 cuboctahedra, corners with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, edges with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, edges with six equivalent Cu(2)Cu9Ni3 cuboctahedra, edges with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, faces with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, faces with six equivalent Cu(2)Cu9Ni3 cuboctahedra, and faces with six equivalent Cu(1)Zn3Cu9 cuboctahedra. Zn(1) is bonded to three equivalent Ni(1), three equivalent Cu(1), and six equivalent Zn(1) atoms to form distorted ZnZn6Cu3Ni3 cuboctahedra that share corners with six equivalent Cu(2)Cu9Ni3 cuboctahedra, corners with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, edges with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, edges with six equivalent Cu(2)Cu9Ni3 cuboctahedra, edges with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, faces with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, faces with six equivalent Cu(1)Zn3Cu9 cuboctahedra, and faces with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra.
Cu2NiZn is beta-derived structured and crystallizes in the trigonal R3m space group. Ni(1) is bonded to six equivalent Ni(1), three equivalent Cu(2), and three equivalent Zn(1) atoms to form distorted NiZn3Cu3Ni6 cuboctahedra that share corners with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, corners with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, edges with six equivalent Cu(2)Cu9Ni3 cuboctahedra, edges with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, faces with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, faces with six equivalent Cu(2)Cu9Ni3 cuboctahedra, and faces with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra. All Ni(1)-Ni(1) bond lengths are 2.59 Å. All Ni(1)-Cu(2) bond lengths are 2.51 Å. All Ni(1)-Zn(1) bond lengths are 2.52 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Cu(2), six equivalent Cu(1), and three equivalent Zn(1) atoms to form CuZn3Cu9 cuboctahedra that share corners with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, corners with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, edges with six equivalent Cu(2)Cu9Ni3 cuboctahedra, edges with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, faces with six equivalent Cu(2)Cu9Ni3 cuboctahedra, faces with six equivalent Cu(1)Zn3Cu9 cuboctahedra, and faces with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra. All Cu(1)-Cu(2) bond lengths are 2.55 Å. All Cu(1)-Cu(1) bond lengths are 2.59 Å. All Cu(1)-Zn(1) bond lengths are 2.61 Å. In the second Cu site, Cu(2) is bonded to three equivalent Ni(1), three equivalent Cu(1), and six equivalent Cu(2) atoms to form CuCu9Ni3 cuboctahedra that share corners with six equivalent Cu(2)Cu9Ni3 cuboctahedra, corners with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, edges with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, edges with six equivalent Cu(2)Cu9Ni3 cuboctahedra, edges with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, faces with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, faces with six equivalent Cu(2)Cu9Ni3 cuboctahedra, and faces with six equivalent Cu(1)Zn3Cu9 cuboctahedra. All Cu(2)-Cu(2) bond lengths are 2.59 Å. Zn(1) is bonded to three equivalent Ni(1), three equivalent Cu(1), and six equivalent Zn(1) atoms to form distorted ZnZn6Cu3Ni3 cuboctahedra that share corners with six equivalent Cu(2)Cu9Ni3 cuboctahedra, corners with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, edges with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, edges with six equivalent Cu(2)Cu9Ni3 cuboctahedra, edges with six equivalent Cu(1)Zn3Cu9 cuboctahedra, edges with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra, faces with six equivalent Ni(1)Zn3Cu3Ni6 cuboctahedra, faces with six equivalent Cu(1)Zn3Cu9 cuboctahedra, and faces with six equivalent Zn(1)Zn6Cu3Ni3 cuboctahedra. All Zn(1)-Zn(1) bond lengths are 2.59 Å.