HfCrS4 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. Hf(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form HfS6 octahedra that share edges with two equivalent Hf(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form CrS6 octahedra that share edges with two equivalent Cr(2)S6 octahedra and edges with four equivalent Hf(1)S6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent Hf(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent Hf(1) and one Cr(2) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to two equivalent Hf(1) and one Cr(1) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Hf(1), one Cr(1), and one Cr(2) atom.
HfCrS4 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. Hf(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form HfS6 octahedra that share edges with two equivalent Hf(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. Both Hf(1)-S(1) bond lengths are 2.54 Å. Both Hf(1)-S(2) bond lengths are 2.54 Å. Both Hf(1)-S(3) bond lengths are 2.53 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form CrS6 octahedra that share edges with two equivalent Cr(2)S6 octahedra and edges with four equivalent Hf(1)S6 octahedra. Both Cr(1)-S(2) bond lengths are 2.42 Å. All Cr(1)-S(3) bond lengths are 2.38 Å. In the second Cr site, Cr(2) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form CrS6 octahedra that share edges with two equivalent Cr(1)S6 octahedra and edges with four equivalent Hf(1)S6 octahedra. Both Cr(2)-S(1) bond lengths are 2.42 Å. All Cr(2)-S(3) bond lengths are 2.38 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to two equivalent Hf(1) and one Cr(2) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to two equivalent Hf(1) and one Cr(1) atom. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Hf(1), one Cr(1), and one Cr(2) atom.