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Title: Materials Data on Tl2SnTe3 by Materials Project

Abstract

Tl2SnTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to two Tl1+ and eight Te2- atoms. There are one shorter (3.62 Å) and one longer (3.70 Å) Tl–Tl bond lengths. There are a spread of Tl–Te bond distances ranging from 3.46–3.82 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to one Tl1+ and seven Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.35–4.06 Å. Sn4+ is bonded to four Te2- atoms to form edge-sharing SnTe4 tetrahedra. There are a spread of Sn–Te bond distances ranging from 2.79–2.87 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six Tl1+ and one Sn4+ atom. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to five Tl1+more » and one Sn4+ atom.« less

Publication Date:
Other Number(s):
mp-28662
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; Tl2SnTe3; Sn-Te-Tl
OSTI Identifier:
1202743
DOI:
https://doi.org/10.17188/1202743

Citation Formats

The Materials Project. Materials Data on Tl2SnTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202743.
The Materials Project. Materials Data on Tl2SnTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1202743
The Materials Project. 2020. "Materials Data on Tl2SnTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1202743. https://www.osti.gov/servlets/purl/1202743. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1202743,
title = {Materials Data on Tl2SnTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2SnTe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to two Tl1+ and eight Te2- atoms. There are one shorter (3.62 Å) and one longer (3.70 Å) Tl–Tl bond lengths. There are a spread of Tl–Te bond distances ranging from 3.46–3.82 Å. In the second Tl1+ site, Tl1+ is bonded in a 8-coordinate geometry to one Tl1+ and seven Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.35–4.06 Å. Sn4+ is bonded to four Te2- atoms to form edge-sharing SnTe4 tetrahedra. There are a spread of Sn–Te bond distances ranging from 2.79–2.87 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six Tl1+ and one Sn4+ atom. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to four equivalent Tl1+ and two equivalent Sn4+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to five Tl1+ and one Sn4+ atom.},
doi = {10.17188/1202743},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}