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Title: Materials Data on Na2Be2O3 by Materials Project

Abstract

Na2Be2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.22–2.33 Å. Be2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.79 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Be2+ atoms to form distorted corner-sharing ONa4Be2 octahedra. The corner-sharing octahedral tilt angles are 66°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three equivalent Be2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-754663
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; Na2Be2O3; Be-Na-O
OSTI Identifier:
1289508
DOI:
https://doi.org/10.17188/1289508

Citation Formats

The Materials Project. Materials Data on Na2Be2O3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1289508.
The Materials Project. Materials Data on Na2Be2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1289508
The Materials Project. 2017. "Materials Data on Na2Be2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1289508. https://www.osti.gov/servlets/purl/1289508. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1289508,
title = {Materials Data on Na2Be2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Be2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.22–2.33 Å. Be2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.62–1.79 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Be2+ atoms to form distorted corner-sharing ONa4Be2 octahedra. The corner-sharing octahedral tilt angles are 66°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three equivalent Be2+ atoms.},
doi = {10.17188/1289508},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}