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Title: Materials Data on TaCoTe2 by Materials Project

Abstract

TaCoTe2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one TaCoTe2 sheet oriented in the (0, 0, 1) direction. Ta3+ is bonded to five Te2- atoms to form a mixture of distorted edge and corner-sharing TaTe5 trigonal bipyramids. There are a spread of Ta–Te bond distances ranging from 2.82–2.95 Å. Co1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.55–2.67 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Ta3+ and two equivalent Co1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Co1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28846
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; TaCoTe2; Co-Ta-Te
OSTI Identifier:
1202930
DOI:
https://doi.org/10.17188/1202930

Citation Formats

The Materials Project. Materials Data on TaCoTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202930.
The Materials Project. Materials Data on TaCoTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1202930
The Materials Project. 2020. "Materials Data on TaCoTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1202930. https://www.osti.gov/servlets/purl/1202930. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1202930,
title = {Materials Data on TaCoTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TaCoTe2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one TaCoTe2 sheet oriented in the (0, 0, 1) direction. Ta3+ is bonded to five Te2- atoms to form a mixture of distorted edge and corner-sharing TaTe5 trigonal bipyramids. There are a spread of Ta–Te bond distances ranging from 2.82–2.95 Å. Co1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.55–2.67 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Ta3+ and two equivalent Co1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Co1+ atoms.},
doi = {10.17188/1202930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}