Materials Data on Al2HgTe4 by Materials Project
HgAl2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Te2- atoms to form HgTe4 tetrahedra that share corners with eight AlTe4 tetrahedra. All Hg–Te bond lengths are 2.89 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent Te2- atoms to form AlTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent AlTe4 tetrahedra. All Al–Te bond lengths are 2.66 Å. In the second Al3+ site, Al3+ is bonded to four equivalent Te2- atoms to form AlTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent AlTe4 tetrahedra. All Al–Te bond lengths are 2.66 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to one Hg2+ and two Al3+ atoms.