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Title: Materials Data on La(Tl3Te2)3 by Materials Project

Abstract

Tl9LaTe6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. La3+ is bonded to six Te2- atoms to form LaTe6 octahedra that share corners with six equivalent TlTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are two shorter (3.25 Å) and four longer (3.28 Å) La–Te bond lengths. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.26–3.72 Å. In the second Tl1+ site, Tl1+ is bonded to six Te2- atoms to form TlTe6 octahedra that share corners with six equivalent LaTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are four shorter (3.51 Å) and two longer (3.56 Å) Tl–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to one La3+ and seven Tl1+ atoms. In the second Te2- site, Te2- is bonded in a 1-coordinate geometry to one La3+ and nine Tl1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1223306
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; La(Tl3Te2)3; La-Te-Tl
OSTI Identifier:
1758479
DOI:
https://doi.org/10.17188/1758479

Citation Formats

The Materials Project. Materials Data on La(Tl3Te2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758479.
The Materials Project. Materials Data on La(Tl3Te2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1758479
The Materials Project. 2020. "Materials Data on La(Tl3Te2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1758479. https://www.osti.gov/servlets/purl/1758479. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758479,
title = {Materials Data on La(Tl3Te2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl9LaTe6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. La3+ is bonded to six Te2- atoms to form LaTe6 octahedra that share corners with six equivalent TlTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are two shorter (3.25 Å) and four longer (3.28 Å) La–Te bond lengths. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.26–3.72 Å. In the second Tl1+ site, Tl1+ is bonded to six Te2- atoms to form TlTe6 octahedra that share corners with six equivalent LaTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. There are four shorter (3.51 Å) and two longer (3.56 Å) Tl–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to one La3+ and seven Tl1+ atoms. In the second Te2- site, Te2- is bonded in a 1-coordinate geometry to one La3+ and nine Tl1+ atoms.},
doi = {10.17188/1758479},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}