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Title: Materials Data on Tl2SnTe5 by Materials Project

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.

Publication Date:
Other Number(s):
mp-28843
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tl2SnTe5; Sn-Te-Tl
OSTI Identifier:
1202928
DOI:
https://doi.org/10.17188/1202928

Citation Formats

The Materials Project. Materials Data on Tl2SnTe5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202928.
The Materials Project. Materials Data on Tl2SnTe5 by Materials Project. United States. doi:https://doi.org/10.17188/1202928
The Materials Project. 2020. "Materials Data on Tl2SnTe5 by Materials Project". United States. doi:https://doi.org/10.17188/1202928. https://www.osti.gov/servlets/purl/1202928. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1202928,
title = {Materials Data on Tl2SnTe5 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1202928},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}