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Title: Materials Data on Na2BeH4 by Materials Project

Abstract

Na2BeH4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Na–H bond distances ranging from 2.32–2.61 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five H1- atoms. There are a spread of Na–H bond distances ranging from 2.24–2.42 Å. Be2+ is bonded in a tetrahedral geometry to four H1- atoms. All Be–H bond lengths are 1.44 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a 3-coordinate geometry to two Na1+ and one Be2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one Be2+ atom. In the third H1- site, H1- is bonded in a 1-coordinate geometry to four Na1+ and one Be2+ atom.

Publication Date:
Other Number(s):
mp-568987
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; Na2BeH4; Be-H-Na
OSTI Identifier:
1272895
DOI:
10.17188/1272895

Citation Formats

The Materials Project. Materials Data on Na2BeH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272895.
The Materials Project. Materials Data on Na2BeH4 by Materials Project. United States. doi:10.17188/1272895.
The Materials Project. 2020. "Materials Data on Na2BeH4 by Materials Project". United States. doi:10.17188/1272895. https://www.osti.gov/servlets/purl/1272895. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1272895,
title = {Materials Data on Na2BeH4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2BeH4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Na–H bond distances ranging from 2.32–2.61 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five H1- atoms. There are a spread of Na–H bond distances ranging from 2.24–2.42 Å. Be2+ is bonded in a tetrahedral geometry to four H1- atoms. All Be–H bond lengths are 1.44 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a 3-coordinate geometry to two Na1+ and one Be2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one Be2+ atom. In the third H1- site, H1- is bonded in a 1-coordinate geometry to four Na1+ and one Be2+ atom.},
doi = {10.17188/1272895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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