HfCrCuS4 crystallizes in the monoclinic P2/m space group. Hf(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form HfS6 octahedra that share corners with eight equivalent Cu(1)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with four equivalent Cu(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Hf(1)S6 octahedra, and faces with two equivalent Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. Cu(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CuS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, corners with eight equivalent Hf(1)S6 octahedra, edges with two equivalent Cu(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Hf(1), one Cr(1), and one Cu(1) atom. In the second S site, S(2) is bonded to one Hf(1), two equivalent Cr(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SHfCr2Cu2 square pyramids.
HfCrCuS4 crystallizes in the monoclinic P2/m space group. Hf(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form HfS6 octahedra that share corners with eight equivalent Cu(1)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. Both Hf(1)-S(2) bond lengths are 2.54 Å. All Hf(1)-S(1) bond lengths are 2.54 Å. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CrS6 octahedra that share corners with four equivalent Cu(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Hf(1)S6 octahedra, and faces with two equivalent Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. Both Cr(1)-S(1) bond lengths are 2.43 Å. All Cr(1)-S(2) bond lengths are 2.45 Å. Cu(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CuS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, corners with eight equivalent Hf(1)S6 octahedra, edges with two equivalent Cu(1)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. Both Cu(1)-S(1) bond lengths are 2.38 Å. All Cu(1)-S(2) bond lengths are 2.60 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Hf(1), one Cr(1), and one Cu(1) atom. In the second S site, S(2) is bonded to one Hf(1), two equivalent Cr(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SHfCr2Cu2 square pyramids.