Ho2ZnS4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form HoS6 octahedra that share corners with four equivalent Ho(2)S6 octahedra, corners with two equivalent Zn(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with two equivalent Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the second Ho site, Ho(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form HoS6 octahedra that share corners with four equivalent Ho(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, corners with four equivalent Zn(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. Zn(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with two equivalent Ho(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra,  an edgeedge with one Ho(2)S6 octahedra, and edges with two equivalent Ho(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ho(1), two equivalent Ho(2), and one Zn(1) atom. In the second S site, S(2) is bonded to one Ho(2), two equivalent Ho(1), and one Zn(1) atom to form distorted corner-sharing SHo3Zn trigonal pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ho(2), two equivalent Ho(1), and one Zn(1) atom.
Ho2ZnS4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form HoS6 octahedra that share corners with four equivalent Ho(2)S6 octahedra, corners with two equivalent Zn(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, edges with two equivalent Ho(2)S6 octahedra, and edges with two equivalent Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. Both Ho(1)-S(1) bond lengths are 2.73 Å. Both Ho(1)-S(2) bond lengths are 2.70 Å. Both Ho(1)-S(3) bond lengths are 2.71 Å. In the second Ho site, Ho(2) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form HoS6 octahedra that share corners with four equivalent Ho(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra, corners with four equivalent Zn(1)S4 tetrahedra, edges with two equivalent Ho(1)S6 octahedra, and  an edgeedge with one Zn(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. The Ho(2)-S(2) bond length is 2.74 Å. The Ho(2)-S(3) bond length is 2.70 Å. There are two shorter (2.74 Å) and two longer (2.76 Å) Ho(2)-S(1) bond lengths. Zn(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form ZnS4 tetrahedra that share corners with two equivalent Ho(1)S6 octahedra, corners with four equivalent Ho(2)S6 octahedra,  an edgeedge with one Ho(2)S6 octahedra, and edges with two equivalent Ho(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. The Zn(1)-S(2) bond length is 2.28 Å. The Zn(1)-S(3) bond length is 2.38 Å. Both Zn(1)-S(1) bond lengths are 2.36 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ho(1), two equivalent Ho(2), and one Zn(1) atom. In the second S site, S(2) is bonded to one Ho(2), two equivalent Ho(1), and one Zn(1) atom to form distorted corner-sharing SHo3Zn trigonal pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ho(2), two equivalent Ho(1), and one Zn(1) atom.