CuCrZrSe4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Zr(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form ZrSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Zr(1)Se6 octahedra, and edges with four equivalent Cr(1)Se6 octahedra. Cr(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form CrSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with four equivalent Zr(1)Se6 octahedra. Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with six equivalent Zr(1)Se6 octahedra and corners with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to two equivalent Zr(1), one Cr(1), and one Cu(1) atom. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Zr(1), two equivalent Cr(1), and one Cu(1) atom.
CuCrZrSe4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Zr(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form ZrSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Zr(1)Se6 octahedra, and edges with four equivalent Cr(1)Se6 octahedra. Both Zr(1)-Se(2) bond lengths are 2.70 Å. All Zr(1)-Se(1) bond lengths are 2.70 Å. Cr(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form CrSe6 octahedra that share corners with six equivalent Cu(1)Se4 tetrahedra, edges with two equivalent Cr(1)Se6 octahedra, and edges with four equivalent Zr(1)Se6 octahedra. Both Cr(1)-Se(1) bond lengths are 2.58 Å. All Cr(1)-Se(2) bond lengths are 2.59 Å. Cu(1) is bonded to two equivalent Se(1) and two equivalent Se(2) atoms to form CuSe4 tetrahedra that share corners with six equivalent Zr(1)Se6 octahedra and corners with six equivalent Cr(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. Both Cu(1)-Se(1) bond lengths are 2.41 Å. Both Cu(1)-Se(2) bond lengths are 2.42 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to two equivalent Zr(1), one Cr(1), and one Cu(1) atom. In the second Se site, Se(2) is bonded in a rectangular see-saw-like geometry to one Zr(1), two equivalent Cr(1), and one Cu(1) atom.