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DOE OSTI · 1317427

Materials Data on TlCdTe2 by Materials Project

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Abstract

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.

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36 MATERIALS SCIENCECd-Te-Tlcrystal structureTlCdTe2

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2020-07-16. Materials Data on TlCdTe2 by Materials Project. https://doi.org/10.17188/1317427

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