CsYbCoS3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Yb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form YbS6 octahedra that share corners with two equivalent Yb(1)S6 octahedra, edges with two equivalent Yb(1)S6 octahedra, and edges with four equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. Co(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CoS4 tetrahedra that share corners with two equivalent Co(1)S4 tetrahedra and edges with four equivalent Yb(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Yb(1), and one Co(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Yb(1), and two equivalent Co(1) atoms.
CsYbCoS3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Both Cs(1)-S(2) bond lengths are 3.61 Å. There are four shorter (3.59 Å) and two longer (4.04 Å) Cs(1)-S(1) bond lengths. Yb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form YbS6 octahedra that share corners with two equivalent Yb(1)S6 octahedra, edges with two equivalent Yb(1)S6 octahedra, and edges with four equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. Both Yb(1)-S(2) bond lengths are 2.79 Å. All Yb(1)-S(1) bond lengths are 2.81 Å. Co(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CoS4 tetrahedra that share corners with two equivalent Co(1)S4 tetrahedra and edges with four equivalent Yb(1)S6 octahedra. Both Co(1)-S(1) bond lengths are 2.18 Å. Both Co(1)-S(2) bond lengths are 2.39 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Yb(1), and one Co(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Yb(1), and two equivalent Co(1) atoms.