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DOE OSTI · 1202928

Materials Data on Tl2SnTe5 by Materials Project

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Abstract

Tl2SnTe5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a distorted body-centered cubic geometry to eight equivalent Te+0.80- atoms. All Tl–Te bond lengths are 3.75 Å. In the second Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to eight equivalent Te+0.80- atoms. All Tl–Te bond lengths are 3.59 Å. Sn2+ is bonded in a tetrahedral geometry to four equivalent Te+0.80- atoms. All Sn–Te bond lengths are 2.84 Å. There are two inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a distorted square co-planar geometry to four equivalent Te+0.80- atoms. All Te–Te bond lengths are 3.04 Å. In the second Te+0.80- site, Te+0.80- is bonded in a 1-coordinate geometry to four Tl1+, one Sn2+, and one Te+0.80- atom.

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36 MATERIALS SCIENCEcrystal structureSn-Te-TlTl2SnTe5

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2020-07-18. Materials Data on Tl2SnTe5 by Materials Project. https://doi.org/10.17188/1202928

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