LuCuZnAs2 crystallizes in the trigonal P3m1 space group. Lu(1) is bonded to three equivalent Cu(1), three equivalent As(1), and three equivalent As(2) atoms to form LuCu3As6 octahedra that share corners with three equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, corners with three equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, corners with six equivalent Zn(1)Cu3As4 tetrahedra, edges with three equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, edges with three equivalent Zn(1)Cu3As4 tetrahedra, faces with six equivalent Lu(1)Cu3As6 octahedra, and faces with three equivalent Zn(1)Cu3As4 tetrahedra. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Lu(1), three equivalent Zn(1), one As(1), and three equivalent As(2) atoms. Zn(1) is bonded to three equivalent Cu(1), one As(2), and three equivalent As(1) atoms to form distorted ZnCu3As4 tetrahedra that share corners with six equivalent Lu(1)Cu3As6 octahedra, corners with three equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, corners with six equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, edges with three equivalent Lu(1)Cu3As6 octahedra, edges with six equivalent Zn(1)Cu3As4 tetrahedra, faces with three equivalent Lu(1)Cu3As6 octahedra, and  a faceface with one As(2)Lu3ZnCu3 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-16°. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Lu(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted AsLu3Zn3Cu pentagonal bipyramids that share corners with three equivalent Lu(1)Cu3As6 octahedra, corners with three equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, corners with three equivalent Zn(1)Cu3As4 tetrahedra, edges with six equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Lu3ZnCu3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. In the second As site, As(2) is bonded to three equivalent Lu(1), three equivalent Cu(1), and one Zn(1) atom to form distorted AsLu3ZnCu3 pentagonal bipyramids that share corners with three equivalent Lu(1)Cu3As6 octahedra, corners with three equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, corners with six equivalent Zn(1)Cu3As4 tetrahedra, edges with three equivalent Lu(1)Cu3As6 octahedra, edges with six equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, edges with six equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, and  a faceface with one Zn(1)Cu3As4 tetrahedra. The corner-sharing octahedral tilt angles are 63°.
LuCuZnAs2 crystallizes in the trigonal P3m1 space group. Lu(1) is bonded to three equivalent Cu(1), three equivalent As(1), and three equivalent As(2) atoms to form LuCu3As6 octahedra that share corners with three equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, corners with three equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, corners with six equivalent Zn(1)Cu3As4 tetrahedra, edges with three equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, edges with three equivalent Zn(1)Cu3As4 tetrahedra, faces with six equivalent Lu(1)Cu3As6 octahedra, and faces with three equivalent Zn(1)Cu3As4 tetrahedra. All Lu(1)-Cu(1) bond lengths are 3.30 Å. All Lu(1)-As(1) bond lengths are 2.94 Å. All Lu(1)-As(2) bond lengths are 2.81 Å. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Lu(1), three equivalent Zn(1), one As(1), and three equivalent As(2) atoms. All Cu(1)-Zn(1) bond lengths are 2.92 Å. The Cu(1)-As(1) bond length is 2.60 Å. All Cu(1)-As(2) bond lengths are 2.49 Å. Zn(1) is bonded to three equivalent Cu(1), one As(2), and three equivalent As(1) atoms to form distorted ZnCu3As4 tetrahedra that share corners with six equivalent Lu(1)Cu3As6 octahedra, corners with three equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, corners with six equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, edges with three equivalent Lu(1)Cu3As6 octahedra, edges with six equivalent Zn(1)Cu3As4 tetrahedra, faces with three equivalent Lu(1)Cu3As6 octahedra, and  a faceface with one As(2)Lu3ZnCu3 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-16°. The Zn(1)-As(2) bond length is 2.51 Å. All Zn(1)-As(1) bond lengths are 2.52 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Lu(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted AsLu3Zn3Cu pentagonal bipyramids that share corners with three equivalent Lu(1)Cu3As6 octahedra, corners with three equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, corners with three equivalent Zn(1)Cu3As4 tetrahedra, edges with six equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Lu3ZnCu3 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 46°. In the second As site, As(2) is bonded to three equivalent Lu(1), three equivalent Cu(1), and one Zn(1) atom to form distorted AsLu3ZnCu3 pentagonal bipyramids that share corners with three equivalent Lu(1)Cu3As6 octahedra, corners with three equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, corners with six equivalent Zn(1)Cu3As4 tetrahedra, edges with three equivalent Lu(1)Cu3As6 octahedra, edges with six equivalent As(1)Lu3Zn3Cu pentagonal bipyramids, edges with six equivalent As(2)Lu3ZnCu3 pentagonal bipyramids, and  a faceface with one Zn(1)Cu3As4 tetrahedra. The corner-sharing octahedral tilt angles are 63°.