CrCu3HgSe4 crystallizes in the cubic P-43m space group. Cr(1) is bonded to four equivalent Se(1) atoms to form CrSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Cr(1)Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Cr(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded to one Cr(1), three equivalent Cu(1), and one Hg(1) atom to form a mixture of distorted corner and edge-sharing SeCrCu3Hg trigonal bipyramids.
CrCu3HgSe4 crystallizes in the cubic P-43m space group. Cr(1) is bonded to four equivalent Se(1) atoms to form CrSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. All Cr(1)-Se(1) bond lengths are 2.38 Å. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent Cr(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.50 Å. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent Cr(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. All Hg(1)-Se(1) bond lengths are 2.71 Å. Se(1) is bonded to one Cr(1), three equivalent Cu(1), and one Hg(1) atom to form a mixture of distorted corner and edge-sharing SeCrCu3Hg trigonal bipyramids.