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Title: Materials Data on Ba4Na(BN2)3 by Materials Project

Abstract

NaBa4(BN2)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N3- atoms to form NaN6 octahedra that share faces with eight equivalent BaN6 octahedra. All Na–N bond lengths are 2.64 Å. Ba2+ is bonded to six equivalent N3- atoms to form BaN6 octahedra that share corners with six equivalent BaN6 octahedra, edges with six equivalent BaN6 octahedra, and faces with two equivalent NaN6 octahedra. The corner-sharing octahedral tilt angles are 26°. All Ba–N bond lengths are 2.90 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.36 Å. N3- is bonded in a distorted single-bond geometry to one Na1+, four equivalent Ba2+, and one B3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-9705
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; Ba4Na(BN2)3; B-Ba-N-Na
OSTI Identifier:
1313526
DOI:
https://doi.org/10.17188/1313526

Citation Formats

The Materials Project. Materials Data on Ba4Na(BN2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313526.
The Materials Project. Materials Data on Ba4Na(BN2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1313526
The Materials Project. 2020. "Materials Data on Ba4Na(BN2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1313526. https://www.osti.gov/servlets/purl/1313526. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1313526,
title = {Materials Data on Ba4Na(BN2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaBa4(BN2)3 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N3- atoms to form NaN6 octahedra that share faces with eight equivalent BaN6 octahedra. All Na–N bond lengths are 2.64 Å. Ba2+ is bonded to six equivalent N3- atoms to form BaN6 octahedra that share corners with six equivalent BaN6 octahedra, edges with six equivalent BaN6 octahedra, and faces with two equivalent NaN6 octahedra. The corner-sharing octahedral tilt angles are 26°. All Ba–N bond lengths are 2.90 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.36 Å. N3- is bonded in a distorted single-bond geometry to one Na1+, four equivalent Ba2+, and one B3+ atom.},
doi = {10.17188/1313526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}