Materials Data on MnTl2SnTe4 by Materials Project

Abstract

MnTl2SnTe4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share edges with two equivalent SnTe4 tetrahedra. All Mn–Te bond lengths are 2.78 Å. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight equivalent Te2- atoms. Both Tl–Tl bond lengths are 3.55 Å. There are four shorter (3.65 Å) and four longer (3.67 Å) Tl–Te bond lengths. Sn4+ is bonded to four equivalent Te2- atoms to form SnTe4 tetrahedra that share edges with two equivalent MnTe4 tetrahedra. All Sn–Te bond lengths are 2.81 Å. Te2- is bonded in a 6-coordinate geometry to one Mn2+, four equivalent Tl1+, and one Sn4+ atom.