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Title: Materials Data on TaSe2 by Materials Project

Abstract

TaSe2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three TaSe2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.62 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.

Publication Date:
Other Number(s):
mp-7834
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TaSe2; Se-Ta
OSTI Identifier:
1282082
DOI:
10.17188/1282082

Citation Formats

The Materials Project. Materials Data on TaSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282082.
The Materials Project. Materials Data on TaSe2 by Materials Project. United States. doi:10.17188/1282082.
The Materials Project. 2020. "Materials Data on TaSe2 by Materials Project". United States. doi:10.17188/1282082. https://www.osti.gov/servlets/purl/1282082. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1282082,
title = {Materials Data on TaSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TaSe2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three TaSe2 sheets oriented in the (0, 0, 1) direction. Ta4+ is bonded to six Se2- atoms to form distorted edge-sharing TaSe6 pentagonal pyramids. All Ta–Se bond lengths are 2.62 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta4+ atoms.},
doi = {10.17188/1282082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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