MoCuZn is half-Heusler structured and crystallizes in the cubic F-43m space group. Mo(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Zn(1) atoms. Cu(1) is bonded to four equivalent Mo(1) and six equivalent Zn(1) atoms to form distorted CuZn6Mo4 tetrahedra that share corners with four equivalent Zn(1)Cu6Mo4 tetrahedra, corners with six equivalent Cu(1)Zn6Mo4 tetrahedra, edges with six equivalent Zn(1)Cu6Mo4 tetrahedra, and faces with twelve equivalent Cu(1)Zn6Mo4 tetrahedra. Zn(1) is bonded to four equivalent Mo(1) and six equivalent Cu(1) atoms to form distorted ZnCu6Mo4 tetrahedra that share corners with four equivalent Cu(1)Zn6Mo4 tetrahedra, corners with six equivalent Zn(1)Cu6Mo4 tetrahedra, edges with six equivalent Cu(1)Zn6Mo4 tetrahedra, and faces with twelve equivalent Zn(1)Cu6Mo4 tetrahedra.
MoCuZn is half-Heusler structured and crystallizes in the cubic F-43m space group. Mo(1) is bonded in a body-centered cubic geometry to four equivalent Cu(1) and four equivalent Zn(1) atoms. All Mo(1)-Cu(1) bond lengths are 2.56 Å. All Mo(1)-Zn(1) bond lengths are 2.56 Å. Cu(1) is bonded to four equivalent Mo(1) and six equivalent Zn(1) atoms to form distorted CuZn6Mo4 tetrahedra that share corners with four equivalent Zn(1)Cu6Mo4 tetrahedra, corners with six equivalent Cu(1)Zn6Mo4 tetrahedra, edges with six equivalent Zn(1)Cu6Mo4 tetrahedra, and faces with twelve equivalent Cu(1)Zn6Mo4 tetrahedra. All Cu(1)-Zn(1) bond lengths are 2.95 Å. Zn(1) is bonded to four equivalent Mo(1) and six equivalent Cu(1) atoms to form distorted ZnCu6Mo4 tetrahedra that share corners with four equivalent Cu(1)Zn6Mo4 tetrahedra, corners with six equivalent Zn(1)Cu6Mo4 tetrahedra, edges with six equivalent Cu(1)Zn6Mo4 tetrahedra, and faces with twelve equivalent Zn(1)Cu6Mo4 tetrahedra.