Cu3HgInSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form 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 In(1)Se4 tetrahedra. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Se(1) is bonded in a distorted pentagonal planar geometry to three equivalent Cu(1), one Hg(1), and one In(1) atom.
Cu3HgInSe4 crystallizes in the cubic P-43m space group. Cu(1) is bonded to four equivalent Se(1) atoms to form 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 In(1)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.60 Å. Hg(1) is bonded to four equivalent Se(1) atoms to form HgSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. All Hg(1)-Se(1) bond lengths are 2.66 Å. In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Hg(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. All In(1)-Se(1) bond lengths are 2.58 Å. Se(1) is bonded in a distorted pentagonal planar geometry to three equivalent Cu(1), one Hg(1), and one In(1) atom.