Materials Data on Tl2SnHgTe4 by Materials Project

Abstract

HgTl2SnTe4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Te2- atoms to form HgTe4 tetrahedra that share edges with two equivalent SnTe4 tetrahedra. All Hg–Te bond lengths are 2.93 Å. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight equivalent Te2- atoms. Both Tl–Tl bond lengths are 3.67 Å. There are four shorter (3.63 Å) and four longer (3.72 Å) Tl–Te bond lengths. Sn4+ is bonded to four equivalent Te2- atoms to form SnTe4 tetrahedra that share edges with two equivalent HgTe4 tetrahedra. All Sn–Te bond lengths are 2.82 Å. Te2- is bonded in a 6-coordinate geometry to one Hg2+, four equivalent Tl1+, and one Sn4+ atom.