Materials Data on Tl2CdTe4 by Materials Project

Abstract

CdTl2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with eight TlTe4 tetrahedra. All Cd–Te bond lengths are 2.89 Å. There are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded to four equivalent Te2- atoms to form TlTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent TlTe4 tetrahedra. All Tl–Te bond lengths are 2.94 Å. In the second Tl3+ site, Tl3+ is bonded to four equivalent Te2- atoms to form TlTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent TlTe4 tetrahedra. All Tl–Te bond lengths are 2.93 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to one Cd2+ and two Tl3+ atoms.