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Title: Materials Data on NaBH4 by Materials Project

Abstract

NaBH4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded in a 12-coordinate geometry to twelve equivalent H+0.50+ atoms. All Na–H bond lengths are 2.53 Å. B3- is bonded in a tetrahedral geometry to four equivalent H+0.50+ atoms. All B–H bond lengths are 1.23 Å. H+0.50+ is bonded in a single-bond geometry to three equivalent Na1+ and one B3- atom.

Authors:
Publication Date:
Other Number(s):
mp-976181
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; NaBH4; B-H-Na
OSTI Identifier:
1315048
DOI:
https://doi.org/10.17188/1315048

Citation Formats

The Materials Project. Materials Data on NaBH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315048.
The Materials Project. Materials Data on NaBH4 by Materials Project. United States. doi:https://doi.org/10.17188/1315048
The Materials Project. 2020. "Materials Data on NaBH4 by Materials Project". United States. doi:https://doi.org/10.17188/1315048. https://www.osti.gov/servlets/purl/1315048. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1315048,
title = {Materials Data on NaBH4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaBH4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded in a 12-coordinate geometry to twelve equivalent H+0.50+ atoms. All Na–H bond lengths are 2.53 Å. B3- is bonded in a tetrahedral geometry to four equivalent H+0.50+ atoms. All B–H bond lengths are 1.23 Å. H+0.50+ is bonded in a single-bond geometry to three equivalent Na1+ and one B3- atom.},
doi = {10.17188/1315048},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}