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Title: Materials Data on NaGaH4 by Materials Project

Abstract

NaGaH4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight H1- atoms. There are a spread of Na–H bond distances ranging from 2.27–2.71 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. All Ga–H bond lengths are 1.60 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted bent 150 degrees geometry to two equivalent Na1+ and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-23918
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; NaGaH4; Ga-H-Na
OSTI Identifier:
1199804
DOI:
https://doi.org/10.17188/1199804

Citation Formats

The Materials Project. Materials Data on NaGaH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199804.
The Materials Project. Materials Data on NaGaH4 by Materials Project. United States. doi:https://doi.org/10.17188/1199804
The Materials Project. 2020. "Materials Data on NaGaH4 by Materials Project". United States. doi:https://doi.org/10.17188/1199804. https://www.osti.gov/servlets/purl/1199804. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199804,
title = {Materials Data on NaGaH4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaGaH4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to eight H1- atoms. There are a spread of Na–H bond distances ranging from 2.27–2.71 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. All Ga–H bond lengths are 1.60 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted bent 150 degrees geometry to two equivalent Na1+ and one Ga3+ atom.},
doi = {10.17188/1199804},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}