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Title: Materials Data on NaBH4 by Materials Project

Abstract

NaBH4 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. Na1+ is bonded in a 12-coordinate geometry to twelve equivalent H+0.50+ atoms. There are a spread of Na–H bond distances ranging from 2.46–2.59 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 distorted single-bond geometry to three equivalent Na1+ and one B3- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-38725
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; NaBH4; B-H-Na
OSTI Identifier:
1207558
DOI:
10.17188/1207558

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaBH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207558.
Persson, Kristin, & Project, Materials. Materials Data on NaBH4 by Materials Project. United States. doi:10.17188/1207558.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaBH4 by Materials Project". United States. doi:10.17188/1207558. https://www.osti.gov/servlets/purl/1207558. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207558,
title = {Materials Data on NaBH4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaBH4 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. Na1+ is bonded in a 12-coordinate geometry to twelve equivalent H+0.50+ atoms. There are a spread of Na–H bond distances ranging from 2.46–2.59 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 distorted single-bond geometry to three equivalent Na1+ and one B3- atom.},
doi = {10.17188/1207558},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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