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DOE OSTI · 1283724

Materials Data on Tl2Te3 by Materials Project

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Abstract

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.

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36 MATERIALS SCIENCEcrystal structureTe-TlTl2Te3

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2020-07-14. Materials Data on Tl2Te3 by Materials Project. https://doi.org/10.17188/1283724

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