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Title: Materials Data on TaTe4I by Materials Project

Abstract

TaTe4I crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ta3+ is bonded in a distorted single-bond geometry to three Te+0.50- atoms. There are a spread of Ta–Te bond distances ranging from 1.64–3.50 Å. There are four inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a distorted single-bond geometry to one Ta3+ atom. In the second Te+0.50- site, Te+0.50- is bonded in a 4-coordinate geometry to three Te+0.50- and one I1- atom. There are a spread of Te–Te bond distances ranging from 2.83–3.06 Å. The Te–I bond length is 3.59 Å. In the third Te+0.50- site, Te+0.50- is bonded in a distorted single-bond geometry to two Te+0.50- and one I1- atom. The Te–Te bond length is 2.20 Å. The Te–I bond length is 2.35 Å. In the fourth Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to two equivalent Ta3+ and three Te+0.50- atoms. I1- is bonded in a 1-coordinate geometry to two Te+0.50- atoms.

Authors:
Publication Date:
Other Number(s):
mp-28691
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; TaTe4I; I-Ta-Te
OSTI Identifier:
1202764
DOI:
https://doi.org/10.17188/1202764

Citation Formats

The Materials Project. Materials Data on TaTe4I by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202764.
The Materials Project. Materials Data on TaTe4I by Materials Project. United States. doi:https://doi.org/10.17188/1202764
The Materials Project. 2020. "Materials Data on TaTe4I by Materials Project". United States. doi:https://doi.org/10.17188/1202764. https://www.osti.gov/servlets/purl/1202764. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1202764,
title = {Materials Data on TaTe4I by Materials Project},
author = {The Materials Project},
abstractNote = {TaTe4I crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ta3+ is bonded in a distorted single-bond geometry to three Te+0.50- atoms. There are a spread of Ta–Te bond distances ranging from 1.64–3.50 Å. There are four inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a distorted single-bond geometry to one Ta3+ atom. In the second Te+0.50- site, Te+0.50- is bonded in a 4-coordinate geometry to three Te+0.50- and one I1- atom. There are a spread of Te–Te bond distances ranging from 2.83–3.06 Å. The Te–I bond length is 3.59 Å. In the third Te+0.50- site, Te+0.50- is bonded in a distorted single-bond geometry to two Te+0.50- and one I1- atom. The Te–Te bond length is 2.20 Å. The Te–I bond length is 2.35 Å. In the fourth Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to two equivalent Ta3+ and three Te+0.50- atoms. I1- is bonded in a 1-coordinate geometry to two Te+0.50- atoms.},
doi = {10.17188/1202764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}