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Title: Materials Data on GaAs2W by Materials Project

Abstract

WGaAs2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. W3+ is bonded to four equivalent As3- atoms to form distorted corner-sharing WAs4 tetrahedra. All W–As bond lengths are 2.81 Å. Ga3+ is bonded to four equivalent As3- atoms to form corner-sharing GaAs4 tetrahedra. All Ga–As bond lengths are 2.81 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent W3+ and four equivalent As3- atoms. All As–As bond lengths are 2.81 Å. In the second As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent Ga3+ and four equivalent As3- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631565
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; GaAs2W; As-Ga-W
OSTI Identifier:
1279253
DOI:
10.17188/1279253

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GaAs2W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279253.
Persson, Kristin, & Project, Materials. Materials Data on GaAs2W by Materials Project. United States. doi:10.17188/1279253.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GaAs2W by Materials Project". United States. doi:10.17188/1279253. https://www.osti.gov/servlets/purl/1279253. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279253,
title = {Materials Data on GaAs2W by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {WGaAs2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. W3+ is bonded to four equivalent As3- atoms to form distorted corner-sharing WAs4 tetrahedra. All W–As bond lengths are 2.81 Å. Ga3+ is bonded to four equivalent As3- atoms to form corner-sharing GaAs4 tetrahedra. All Ga–As bond lengths are 2.81 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a distorted body-centered cubic geometry to four equivalent W3+ and four equivalent As3- atoms. All As–As bond lengths are 2.81 Å. In the second As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent Ga3+ and four equivalent As3- atoms.},
doi = {10.17188/1279253},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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