DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Tl5Te3 by Materials Project

Abstract

Tl5Te3 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 5-coordinate geometry to five Te+1.67- atoms. There are a spread of Tl–Te bond distances ranging from 3.22–3.69 Å. In the second Tl1+ site, Tl1+ is bonded to six Te+1.67- atoms to form corner-sharing TlTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are two shorter (3.23 Å) and four longer (3.45 Å) Tl–Te bond lengths. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 2-coordinate geometry to ten Tl1+ atoms. In the second Te+1.67- site, Te+1.67- is bonded in a 8-coordinate geometry to eight Tl1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-174
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tl5Te3; Te-Tl
OSTI Identifier:
1192488
DOI:
https://doi.org/10.17188/1192488

Citation Formats

The Materials Project. Materials Data on Tl5Te3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192488.
The Materials Project. Materials Data on Tl5Te3 by Materials Project. United States. doi:https://doi.org/10.17188/1192488
The Materials Project. 2020. "Materials Data on Tl5Te3 by Materials Project". United States. doi:https://doi.org/10.17188/1192488. https://www.osti.gov/servlets/purl/1192488. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1192488,
title = {Materials Data on Tl5Te3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl5Te3 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 5-coordinate geometry to five Te+1.67- atoms. There are a spread of Tl–Te bond distances ranging from 3.22–3.69 Å. In the second Tl1+ site, Tl1+ is bonded to six Te+1.67- atoms to form corner-sharing TlTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–41°. There are two shorter (3.23 Å) and four longer (3.45 Å) Tl–Te bond lengths. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 2-coordinate geometry to ten Tl1+ atoms. In the second Te+1.67- site, Te+1.67- is bonded in a 8-coordinate geometry to eight Tl1+ atoms.},
doi = {10.17188/1192488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}