Yb(CuS)3 crystallizes in the trigonal R-3 space group. Yb(1) is bonded to six equivalent S(1) atoms to form YbS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Yb(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 Yb(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Yb(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-53°. S(1) is bonded in a 6-coordinate geometry to two equivalent Yb(1) and four equivalent Cu(1) atoms.
Yb(CuS)3 crystallizes in the trigonal R-3 space group. Yb(1) is bonded to six equivalent S(1) atoms to form YbS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Yb(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. There are three shorter (2.76 Å) and three longer (2.77 Å) Yb(1)-S(1) bond lengths. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Yb(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Yb(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-53°. There are a spread of Cu(1)-S(1) bond distances ranging from 2.27-2.41 Å. S(1) is bonded in a 6-coordinate geometry to two equivalent Yb(1) and four equivalent Cu(1) atoms.