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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tl2Te3 by Materials Project

Tl2Te3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tl3+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.46–3.70 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four equivalent Tl3+ and three Te2- atoms. There are a spread of Te–Te bond distances ranging from 2.88–3.62 Å. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent Tl3+ and four equivalent Te2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2Te3 by Materials Project

Tl2Te3 is beta Boron-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.39–3.71 Å. In the second Tl3+ site, Tl3+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.52–3.75 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three Tl3+ and three Te2- atoms. There are a spread of Te–Te bond distances ranging from 2.88–3.27 Å. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to six Tl3+ and two Te2- atoms. The Te–Te bond length is 3.13 Å. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to three Tl3+ and three Te2- atoms.

36 MATERIALS SCIENCE↗