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Title: Materials Data on TlI3 by Materials Project

Abstract

TlI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl3+ is bonded in a 5-coordinate geometry to five I1- atoms. There are a spread of Tl–I bond distances ranging from 3.63–3.76 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.88 Å) and one longer (3.03 Å) I–I bond lengths. In the second I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Tl3+ and one I1- atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to one Tl3+ and one I1- atom.

Authors:
Publication Date:
Other Number(s):
mp-28329
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; TlI3; I-Tl
OSTI Identifier:
1202454
DOI:
https://doi.org/10.17188/1202454

Citation Formats

The Materials Project. Materials Data on TlI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202454.
The Materials Project. Materials Data on TlI3 by Materials Project. United States. doi:https://doi.org/10.17188/1202454
The Materials Project. 2020. "Materials Data on TlI3 by Materials Project". United States. doi:https://doi.org/10.17188/1202454. https://www.osti.gov/servlets/purl/1202454. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1202454,
title = {Materials Data on TlI3 by Materials Project},
author = {The Materials Project},
abstractNote = {TlI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl3+ is bonded in a 5-coordinate geometry to five I1- atoms. There are a spread of Tl–I bond distances ranging from 3.63–3.76 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two I1- atoms. There are one shorter (2.88 Å) and one longer (3.03 Å) I–I bond lengths. In the second I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Tl3+ and one I1- atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to one Tl3+ and one I1- atom.},
doi = {10.17188/1202454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}