TiCr3(CuSe4)2 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded to six equivalent Se(1) atoms to form TiSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra and edges with six equivalent Cr(1)Se6 octahedra. Cr(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form CrSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Ti(1)Se6 octahedra, and edges with four equivalent Cr(1)Se6 octahedra. Cu(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with three equivalent Ti(1)Se6 octahedra and corners with nine equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Cr(1), and one Cu(1) atom. In the second Se site, Se(2) is bonded to three equivalent Cr(1) and one Cu(1) atom to form distorted corner-sharing SeCr3Cu trigonal pyramids.
TiCr3(CuSe4)2 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded to six equivalent Se(1) atoms to form TiSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra and edges with six equivalent Cr(1)Se6 octahedra. All Ti(1)-Se(1) bond lengths are 2.57 Å. Cr(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form CrSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Ti(1)Se6 octahedra, and edges with four equivalent Cr(1)Se6 octahedra. Both Cr(1)-Se(2) bond lengths are 2.53 Å. All Cr(1)-Se(1) bond lengths are 2.54 Å. Cu(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with three equivalent Ti(1)Se6 octahedra and corners with nine equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. The Cu(1)-Se(2) bond length is 2.38 Å. All Cu(1)-Se(1) bond lengths are 2.39 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Cr(1), and one Cu(1) atom. In the second Se site, Se(2) is bonded to three equivalent Cr(1) and one Cu(1) atom to form distorted corner-sharing SeCr3Cu trigonal pyramids.