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Title: Materials Data on NaBeB by Materials Project

Abstract

NaBeB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent B3- atoms to form NaB4 tetrahedra that share corners with four equivalent BeB4 tetrahedra, corners with twelve equivalent NaB4 tetrahedra, and edges with six equivalent BeB4 tetrahedra. All Na–B bond lengths are 2.39 Å. Be2+ is bonded to four equivalent B3- atoms to form BeB4 tetrahedra that share corners with four equivalent NaB4 tetrahedra, corners with twelve equivalent BeB4 tetrahedra, and edges with six equivalent NaB4 tetrahedra. All Be–B bond lengths are 2.39 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Be2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1220805
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaBeB; B-Be-Na
OSTI Identifier:
1684146
DOI:
https://doi.org/10.17188/1684146

Citation Formats

The Materials Project. Materials Data on NaBeB by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684146.
The Materials Project. Materials Data on NaBeB by Materials Project. United States. doi:https://doi.org/10.17188/1684146
The Materials Project. 2019. "Materials Data on NaBeB by Materials Project". United States. doi:https://doi.org/10.17188/1684146. https://www.osti.gov/servlets/purl/1684146. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684146,
title = {Materials Data on NaBeB by Materials Project},
author = {The Materials Project},
abstractNote = {NaBeB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent B3- atoms to form NaB4 tetrahedra that share corners with four equivalent BeB4 tetrahedra, corners with twelve equivalent NaB4 tetrahedra, and edges with six equivalent BeB4 tetrahedra. All Na–B bond lengths are 2.39 Å. Be2+ is bonded to four equivalent B3- atoms to form BeB4 tetrahedra that share corners with four equivalent NaB4 tetrahedra, corners with twelve equivalent BeB4 tetrahedra, and edges with six equivalent NaB4 tetrahedra. All Be–B bond lengths are 2.39 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Be2+ atoms.},
doi = {10.17188/1684146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}