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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TlCdTe2 by Materials Project

CdTlTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent Te+1.50- atoms to form CdTe6 octahedra that share corners with twelve equivalent TlTe6 octahedra, edges with six equivalent CdTe6 octahedra, and faces with two equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Cd–Te bond lengths are 3.05 Å. Tl1+ is bonded to six equivalent Te+1.50- atoms to form TlTe6 octahedra that share corners with twelve equivalent CdTe6 octahedra, edges with six equivalent TlTe6 octahedra, and faces with two equivalent CdTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Tl–Te bond lengths are 3.29 Å. Te+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2CdTe4 by Materials Project

CdTl2Te4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with eight equivalent TlTe4 tetrahedra. All Cd–Te bond lengths are 2.88 Å. 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 equivalent Tl3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2CdTe4 by Materials Project

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.

36 MATERIALS SCIENCE↗