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Title: Materials Data on Na2BeB2O5 by Materials Project

Abstract

Na2BeB2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.96 Å. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.67 Å) Be–O bond length. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Na1+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Na1+, one Be2+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and two equivalent B3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-16737
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; Na2BeB2O5; B-Be-Na-O
OSTI Identifier:
1192132
DOI:
https://doi.org/10.17188/1192132

Citation Formats

The Materials Project. Materials Data on Na2BeB2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192132.
The Materials Project. Materials Data on Na2BeB2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1192132
The Materials Project. 2020. "Materials Data on Na2BeB2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1192132. https://www.osti.gov/servlets/purl/1192132. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192132,
title = {Materials Data on Na2BeB2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2BeB2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.96 Å. Be2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.67 Å) Be–O bond length. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.42 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Na1+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Na1+, one Be2+, and one B3+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and two equivalent B3+ atoms.},
doi = {10.17188/1192132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}