Cu2HgI4 crystallizes in the tetragonal P-42m space group. Cu(1) is bonded to four equivalent I(1) atoms to form CuI4 tetrahedra that share corners with four equivalent Cu(1)I4 tetrahedra and corners with four equivalent Hg(1)I4 tetrahedra. Hg(1) is bonded to four equivalent I(1) atoms to form HgI4 tetrahedra that share corners with eight equivalent Cu(1)I4 tetrahedra. I(1) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Hg(1) atom.
Cu2HgI4 crystallizes in the tetragonal P-42m space group. Cu(1) is bonded to four equivalent I(1) atoms to form CuI4 tetrahedra that share corners with four equivalent Cu(1)I4 tetrahedra and corners with four equivalent Hg(1)I4 tetrahedra. All Cu(1)-I(1) bond lengths are 2.61 Å. Hg(1) is bonded to four equivalent I(1) atoms to form HgI4 tetrahedra that share corners with eight equivalent Cu(1)I4 tetrahedra. All Hg(1)-I(1) bond lengths are 2.85 Å. I(1) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Hg(1) atom.