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Title: Materials Data on AsSeBr by Materials Project

Abstract

BrSeAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. As3+ is bonded to four equivalent Se2- atoms to form AsSe4 tetrahedra that share corners with four equivalent BrSe4 tetrahedra, corners with twelve equivalent AsSe4 tetrahedra, and edges with six equivalent BrSe4 tetrahedra. All As–Se bond lengths are 2.96 Å. Se2- is bonded in a body-centered cubic geometry to four equivalent As3+ and four equivalent Br1- atoms. All Se–Br bond lengths are 2.96 Å. Br1- is bonded to four equivalent Se2- atoms to form BrSe4 tetrahedra that share corners with four equivalent AsSe4 tetrahedra, corners with twelve equivalent BrSe4 tetrahedra, and edges with six equivalent AsSe4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631257
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; AsSeBr; As-Br-Se
OSTI Identifier:
1279039
DOI:
10.17188/1279039

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AsSeBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279039.
Persson, Kristin, & Project, Materials. Materials Data on AsSeBr by Materials Project. United States. doi:10.17188/1279039.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AsSeBr by Materials Project". United States. doi:10.17188/1279039. https://www.osti.gov/servlets/purl/1279039. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279039,
title = {Materials Data on AsSeBr by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BrSeAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. As3+ is bonded to four equivalent Se2- atoms to form AsSe4 tetrahedra that share corners with four equivalent BrSe4 tetrahedra, corners with twelve equivalent AsSe4 tetrahedra, and edges with six equivalent BrSe4 tetrahedra. All As–Se bond lengths are 2.96 Å. Se2- is bonded in a body-centered cubic geometry to four equivalent As3+ and four equivalent Br1- atoms. All Se–Br bond lengths are 2.96 Å. Br1- is bonded to four equivalent Se2- atoms to form BrSe4 tetrahedra that share corners with four equivalent AsSe4 tetrahedra, corners with twelve equivalent BrSe4 tetrahedra, and edges with six equivalent AsSe4 tetrahedra.},
doi = {10.17188/1279039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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