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Title: Materials Data on TaTe4 by Materials Project

Abstract

TaTe4 crystallizes in the tetragonal P4/ncc space group. The structure is one-dimensional and consists of two TaTe4 ribbons oriented in the (0, 0, 1) direction. there are three inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are four shorter (2.82 Å) and four longer (2.99 Å) Ta–Te bond lengths. In the second Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are four shorter (2.83 Å) and four longer (2.99 Å) Ta–Te bond lengths. In the third Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are four shorter (2.92 Å) and four longer (2.93 Å) Ta–Te bond lengths. There are three inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two Ta5+ atoms. In the second Te+1.25- site, Te+1.25- is bonded in a 3-coordinate geometry to two Ta5+ atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 3-coordinate geometry to two Ta5+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-202
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; TaTe4; Ta-Te
OSTI Identifier:
1195340
DOI:
https://doi.org/10.17188/1195340

Citation Formats

The Materials Project. Materials Data on TaTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195340.
The Materials Project. Materials Data on TaTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1195340
The Materials Project. 2020. "Materials Data on TaTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1195340. https://www.osti.gov/servlets/purl/1195340. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1195340,
title = {Materials Data on TaTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {TaTe4 crystallizes in the tetragonal P4/ncc space group. The structure is one-dimensional and consists of two TaTe4 ribbons oriented in the (0, 0, 1) direction. there are three inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are four shorter (2.82 Å) and four longer (2.99 Å) Ta–Te bond lengths. In the second Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are four shorter (2.83 Å) and four longer (2.99 Å) Ta–Te bond lengths. In the third Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are four shorter (2.92 Å) and four longer (2.93 Å) Ta–Te bond lengths. There are three inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two Ta5+ atoms. In the second Te+1.25- site, Te+1.25- is bonded in a 3-coordinate geometry to two Ta5+ atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 3-coordinate geometry to two Ta5+ atoms.},
doi = {10.17188/1195340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}