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Title: Materials Data on TcSnSe by Materials Project

Abstract

TcSnSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc1- is bonded in a 10-coordinate geometry to four equivalent Sn3+ and six equivalent Se2- atoms. All Tc–Sn bond lengths are 2.83 Å. All Tc–Se bond lengths are 3.26 Å. Sn3+ is bonded in a body-centered cubic geometry to four equivalent Tc1- and four equivalent Se2- atoms. All Sn–Se bond lengths are 2.83 Å. Se2- is bonded to six equivalent Tc1- and four equivalent Sn3+ atoms to form a mixture of distorted corner and face-sharing SeTc6Sn4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631366
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; TcSnSe; Se-Sn-Tc
OSTI Identifier:
1279100
DOI:
10.17188/1279100

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TcSnSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279100.
Persson, Kristin, & Project, Materials. Materials Data on TcSnSe by Materials Project. United States. doi:10.17188/1279100.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TcSnSe by Materials Project". United States. doi:10.17188/1279100. https://www.osti.gov/servlets/purl/1279100. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1279100,
title = {Materials Data on TcSnSe by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TcSnSe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc1- is bonded in a 10-coordinate geometry to four equivalent Sn3+ and six equivalent Se2- atoms. All Tc–Sn bond lengths are 2.83 Å. All Tc–Se bond lengths are 3.26 Å. Sn3+ is bonded in a body-centered cubic geometry to four equivalent Tc1- and four equivalent Se2- atoms. All Sn–Se bond lengths are 2.83 Å. Se2- is bonded to six equivalent Tc1- and four equivalent Sn3+ atoms to form a mixture of distorted corner and face-sharing SeTc6Sn4 tetrahedra.},
doi = {10.17188/1279100},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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