HgAl2Te4 crystallizes in the tetragonal I-4 space group. Hg(1) is bonded to four equivalent Te(1) atoms to form HgTe4 tetrahedra that share corners with four equivalent Al(1)Te4 tetrahedra and corners with four equivalent Al(2)Te4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Te(1) atoms to form AlTe4 tetrahedra that share corners with four equivalent Hg(1)Te4 tetrahedra and corners with four equivalent Al(2)Te4 tetrahedra. In the second Al site, Al(2) is bonded to four equivalent Te(1) atoms to form AlTe4 tetrahedra that share corners with four equivalent Hg(1)Te4 tetrahedra and corners with four equivalent Al(1)Te4 tetrahedra. Te(1) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Al(1), and one Al(2) atom.
HgAl2Te4 crystallizes in the tetragonal I-4 space group. Hg(1) is bonded to four equivalent Te(1) atoms to form HgTe4 tetrahedra that share corners with four equivalent Al(1)Te4 tetrahedra and corners with four equivalent Al(2)Te4 tetrahedra. All Hg(1)-Te(1) bond lengths are 2.85 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Te(1) atoms to form AlTe4 tetrahedra that share corners with four equivalent Hg(1)Te4 tetrahedra and corners with four equivalent Al(2)Te4 tetrahedra. All Al(1)-Te(1) bond lengths are 2.64 Å. In the second Al site, Al(2) is bonded to four equivalent Te(1) atoms to form AlTe4 tetrahedra that share corners with four equivalent Hg(1)Te4 tetrahedra and corners with four equivalent Al(1)Te4 tetrahedra. All Al(2)-Te(1) bond lengths are 2.63 Å. Te(1) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Al(1), and one Al(2) atom.