CuCrSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. Cu(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form distorted corner-sharing CuSe4 trigonal pyramids. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Cr(1) and three equivalent Cu(1) atoms to form edge-sharing SeCr3Cu3 octahedra. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom.
CuCrSe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Cr(1) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. All Cr(1)-Se(1) bond lengths are 2.71 Å. All Cr(1)-Se(2) bond lengths are 2.54 Å. Cu(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form distorted corner-sharing CuSe4 trigonal pyramids. The Cu(1)-Se(2) bond length is 2.34 Å. All Cu(1)-Se(1) bond lengths are 2.48 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Cr(1) and three equivalent Cu(1) atoms to form edge-sharing SeCr3Cu3 octahedra. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(1) and one Cu(1) atom.