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Title: Materials Data on Na6BeO4 by Materials Project

Abstract

Na6BeO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are one shorter (2.32 Å) and three longer (2.39 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.53 Å. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.70 Å) and three longer (1.76 Å) Be–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to seven Na1+ and one Be2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to six Na1+ and one Be2+ atom.

Publication Date:
Other Number(s):
mp-755546
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; Na6BeO4; Be-Na-O
OSTI Identifier:
1290051
DOI:
10.17188/1290051

Citation Formats

The Materials Project. Materials Data on Na6BeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290051.
The Materials Project. Materials Data on Na6BeO4 by Materials Project. United States. doi:10.17188/1290051.
The Materials Project. 2020. "Materials Data on Na6BeO4 by Materials Project". United States. doi:10.17188/1290051. https://www.osti.gov/servlets/purl/1290051. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290051,
title = {Materials Data on Na6BeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na6BeO4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are one shorter (2.32 Å) and three longer (2.39 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.53 Å. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.70 Å) and three longer (1.76 Å) Be–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to seven Na1+ and one Be2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to six Na1+ and one Be2+ atom.},
doi = {10.17188/1290051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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