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

Title: Materials Data on Tl2TeBr6 by Materials Project

Abstract

Tl2TeBr6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tl1+ is bonded in a distorted body-centered cubic geometry to eight Br1- atoms. There are four shorter (3.52 Å) and four longer (3.81 Å) Tl–Br bond lengths. Te4+ is bonded in an octahedral geometry to six Br1- atoms. All Te–Br bond lengths are 2.74 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Te4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-31076
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; Tl2TeBr6; Br-Te-Tl
OSTI Identifier:
1205402
DOI:
https://doi.org/10.17188/1205402

Citation Formats

The Materials Project. Materials Data on Tl2TeBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205402.
The Materials Project. Materials Data on Tl2TeBr6 by Materials Project. United States. doi:https://doi.org/10.17188/1205402
The Materials Project. 2020. "Materials Data on Tl2TeBr6 by Materials Project". United States. doi:https://doi.org/10.17188/1205402. https://www.osti.gov/servlets/purl/1205402. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1205402,
title = {Materials Data on Tl2TeBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2TeBr6 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Tl1+ is bonded in a distorted body-centered cubic geometry to eight Br1- atoms. There are four shorter (3.52 Å) and four longer (3.81 Å) Tl–Br bond lengths. Te4+ is bonded in an octahedral geometry to six Br1- atoms. All Te–Br bond lengths are 2.74 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to four equivalent Tl1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Te4+ atom.},
doi = {10.17188/1205402},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}