Ho(CuS)3 crystallizes in the trigonal R-3 space group. Ho(1) is bonded to six equivalent S(1) atoms to form HoS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Ho(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 Ho(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-55°. S(1) is bonded to two equivalent Ho(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SHo2Cu4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°.
Ho(CuS)3 crystallizes in the trigonal R-3 space group. Ho(1) is bonded to six equivalent S(1) atoms to form HoS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Ho(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. There are three shorter (2.72 Å) and three longer (2.73 Å) Ho(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 Ho(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-55°. There are a spread of Cu(1)-S(1) bond distances ranging from 2.30-2.40 Å. S(1) is bonded to two equivalent Ho(1) and four equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SHo2Cu4 octahedra. The corner-sharing octahedral tilt angles range from 0-90°.