CuCrS2 crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to one S(2) and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and three equivalent Cu(1) atoms to form distorted edge-sharing SCr3Cu3 pentagonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom.
CuCrS2 crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. All Cr(1)-S(1) bond lengths are 2.39 Å. All Cr(1)-S(2) bond lengths are 2.33 Å. Cu(1) is bonded in a rectangular see-saw-like geometry to one S(2) and three equivalent S(1) atoms. The Cu(1)-S(2) bond length is 2.21 Å. All Cu(1)-S(1) bond lengths are 2.35 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and three equivalent Cu(1) atoms to form distorted edge-sharing SCr3Cu3 pentagonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom.