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Title: Materials Data on BeCuBr by Materials Project

Abstract

BeCuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be is bonded to four equivalent Cu atoms to form BeCu4 tetrahedra that share corners with four equivalent BrCu4 tetrahedra, corners with twelve equivalent BeCu4 tetrahedra, and edges with six equivalent BrCu4 tetrahedra. All Be–Cu bond lengths are 2.60 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Br atoms. All Cu–Br bond lengths are 2.60 Å. Br is bonded to four equivalent Cu atoms to form BrCu4 tetrahedra that share corners with four equivalent BeCu4 tetrahedra, corners with twelve equivalent BrCu4 tetrahedra, and edges with six equivalent BeCu4 tetrahedra.

Publication Date:
Other Number(s):
mp-631505
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; BeCuBr; Be-Br-Cu
OSTI Identifier:
1279194
DOI:
10.17188/1279194

Citation Formats

The Materials Project. Materials Data on BeCuBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279194.
The Materials Project. Materials Data on BeCuBr by Materials Project. United States. doi:10.17188/1279194.
The Materials Project. 2020. "Materials Data on BeCuBr by Materials Project". United States. doi:10.17188/1279194. https://www.osti.gov/servlets/purl/1279194. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279194,
title = {Materials Data on BeCuBr by Materials Project},
author = {The Materials Project},
abstractNote = {BeCuBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be is bonded to four equivalent Cu atoms to form BeCu4 tetrahedra that share corners with four equivalent BrCu4 tetrahedra, corners with twelve equivalent BeCu4 tetrahedra, and edges with six equivalent BrCu4 tetrahedra. All Be–Cu bond lengths are 2.60 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Br atoms. All Cu–Br bond lengths are 2.60 Å. Br is bonded to four equivalent Cu atoms to form BrCu4 tetrahedra that share corners with four equivalent BeCu4 tetrahedra, corners with twelve equivalent BrCu4 tetrahedra, and edges with six equivalent BeCu4 tetrahedra.},
doi = {10.17188/1279194},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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