TbCuZnAs2 crystallizes in the trigonal P3m1 space group. Tb(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form distorted TbAs6 octahedra that share corners with six equivalent Cu(1)As4 tetrahedra, corners with six equivalent Zn(1)As4 tetrahedra, edges with six equivalent Tb(1)As6 octahedra, edges with three equivalent Cu(1)As4 tetrahedra, and edges with three equivalent Zn(1)As4 tetrahedra. Cu(1) is bonded to one As(1) and three equivalent As(2) atoms to form distorted CuAs4 tetrahedra that share corners with six equivalent Tb(1)As6 octahedra, corners with six equivalent Cu(1)As4 tetrahedra, edges with three equivalent Tb(1)As6 octahedra, and edges with three equivalent Zn(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-53°. Zn(1) is bonded to one As(2) and three equivalent As(1) atoms to form distorted ZnAs4 tetrahedra that share corners with six equivalent Tb(1)As6 octahedra, corners with six equivalent Zn(1)As4 tetrahedra, edges with three equivalent Tb(1)As6 octahedra, and edges with three equivalent Cu(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Tb(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted AsTb3Zn3Cu pentagonal bipyramids that share corners with three equivalent As(2)Tb3ZnCu3 pentagonal bipyramids, edges with six equivalent As(1)Tb3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Tb3ZnCu3 pentagonal bipyramids. In the second As site, As(2) is bonded to three equivalent Tb(1), three equivalent Cu(1), and one Zn(1) atom to form distorted AsTb3ZnCu3 pentagonal bipyramids that share corners with three equivalent As(1)Tb3Zn3Cu pentagonal bipyramids, edges with six equivalent As(1)Tb3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Tb3ZnCu3 pentagonal bipyramids.
TbCuZnAs2 crystallizes in the trigonal P3m1 space group. Tb(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form distorted TbAs6 octahedra that share corners with six equivalent Cu(1)As4 tetrahedra, corners with six equivalent Zn(1)As4 tetrahedra, edges with six equivalent Tb(1)As6 octahedra, edges with three equivalent Cu(1)As4 tetrahedra, and edges with three equivalent Zn(1)As4 tetrahedra. All Tb(1)-As(1) bond lengths are 2.99 Å. All Tb(1)-As(2) bond lengths are 2.86 Å. Cu(1) is bonded to one As(1) and three equivalent As(2) atoms to form distorted CuAs4 tetrahedra that share corners with six equivalent Tb(1)As6 octahedra, corners with six equivalent Cu(1)As4 tetrahedra, edges with three equivalent Tb(1)As6 octahedra, and edges with three equivalent Zn(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-53°. 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 one As(2) and three equivalent As(1) atoms to form distorted ZnAs4 tetrahedra that share corners with six equivalent Tb(1)As6 octahedra, corners with six equivalent Zn(1)As4 tetrahedra, edges with three equivalent Tb(1)As6 octahedra, and edges with three equivalent Cu(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-56°. The Zn(1)-As(2) bond length is 2.50 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 Tb(1), one Cu(1), and three equivalent Zn(1) atoms to form distorted AsTb3Zn3Cu pentagonal bipyramids that share corners with three equivalent As(2)Tb3ZnCu3 pentagonal bipyramids, edges with six equivalent As(1)Tb3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Tb3ZnCu3 pentagonal bipyramids. In the second As site, As(2) is bonded to three equivalent Tb(1), three equivalent Cu(1), and one Zn(1) atom to form distorted AsTb3ZnCu3 pentagonal bipyramids that share corners with three equivalent As(1)Tb3Zn3Cu pentagonal bipyramids, edges with six equivalent As(1)Tb3Zn3Cu pentagonal bipyramids, and edges with six equivalent As(2)Tb3ZnCu3 pentagonal bipyramids.