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Title: Materials Data on TaSiAs by Materials Project

Abstract

TaSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to four equivalent Si4- and five equivalent As1- atoms. All Ta–Si bond lengths are 2.67 Å. There are four shorter (2.70 Å) and one longer (2.85 Å) Ta–As bond lengths. Si4- is bonded in a 8-coordinate geometry to four equivalent Ta5+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.49 Å. As1- is bonded in a 5-coordinate geometry to five equivalent Ta5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-5031
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; TaSiAs; As-Si-Ta
OSTI Identifier:
1208582
DOI:
10.17188/1208582

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TaSiAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208582.
Persson, Kristin, & Project, Materials. Materials Data on TaSiAs by Materials Project. United States. doi:10.17188/1208582.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TaSiAs by Materials Project". United States. doi:10.17188/1208582. https://www.osti.gov/servlets/purl/1208582. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208582,
title = {Materials Data on TaSiAs by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TaSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to four equivalent Si4- and five equivalent As1- atoms. All Ta–Si bond lengths are 2.67 Å. There are four shorter (2.70 Å) and one longer (2.85 Å) Ta–As bond lengths. Si4- is bonded in a 8-coordinate geometry to four equivalent Ta5+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.49 Å. As1- is bonded in a 5-coordinate geometry to five equivalent Ta5+ atoms.},
doi = {10.17188/1208582},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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