CdHo2S4 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form HoS6 octahedra that share corners with four equivalent Ho(1)S6 octahedra, edges with four equivalent Ho(2)S6 octahedra, and edges with four equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Ho site, Ho(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form HoS6 octahedra that share corners with two equivalent Cd(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and edges with four equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Cd(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CdS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with four equivalent Cd(1)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and edges with four equivalent Ho(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to one Ho(2), two equivalent Ho(1), and one Cd(1) atom. In the second S site, S(2) is bonded to one Ho(1), two equivalent Ho(2), and two equivalent Cd(1) atoms to form a mixture of edge and corner-sharing SHo3Cd2 square pyramids.
CdHo2S4 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form HoS6 octahedra that share corners with four equivalent Ho(1)S6 octahedra, edges with four equivalent Ho(2)S6 octahedra, and edges with four equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. Both Ho(1)-S(2) bond lengths are 2.71 Å. All Ho(1)-S(1) bond lengths are 2.75 Å. In the second Ho site, Ho(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form HoS6 octahedra that share corners with two equivalent Cd(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and edges with four equivalent Cd(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Ho(2)-S(1) bond lengths are 2.68 Å. All Ho(2)-S(2) bond lengths are 2.75 Å. Cd(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CdS6 octahedra that share corners with two equivalent Ho(2)S6 octahedra, corners with four equivalent Cd(1)S6 octahedra, edges with four equivalent Ho(1)S6 octahedra, and edges with four equivalent Ho(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Cd(1)-S(1) bond lengths are 2.82 Å. All Cd(1)-S(2) bond lengths are 2.75 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to one Ho(2), two equivalent Ho(1), and one Cd(1) atom. In the second S site, S(2) is bonded to one Ho(1), two equivalent Ho(2), and two equivalent Cd(1) atoms to form a mixture of edge and corner-sharing SHo3Cd2 square pyramids.