TbCu3S3 crystallizes in the trigonal R-3 space group. Tb(1) is bonded to six equivalent S(1) atoms to form TbS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Tb(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Tb(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Tb(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-55°. S(1) is bonded in a 6-coordinate geometry to two equivalent Tb(1) and four equivalent Cu(1) atoms.
TbCu3S3 crystallizes in the trigonal R-3 space group. Tb(1) is bonded to six equivalent S(1) atoms to form TbS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Tb(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. All Tb(1)-S(1) bond lengths are 2.75 Å. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Tb(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Tb(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-55°. There are a spread of Cu(1)-S(1) bond distances ranging from 2.30-2.40 Å. S(1) is bonded in a 6-coordinate geometry to two equivalent Tb(1) and four equivalent Cu(1) atoms.