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Title: Materials Data on Na2O by Materials Project

Abstract

Na2O is Cotunnite-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Na2O sheet oriented in the (0, 0, 1) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.37 Å. In the second Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing NaO4 tetrahedra. There are three shorter (2.35 Å) and one longer (2.48 Å) Na–O bond lengths. O2- is bonded in a 7-coordinate geometry to seven Na1+ atoms.

Publication Date:
Other Number(s):
mp-755413
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; Na2O; Na-O
OSTI Identifier:
1272588
DOI:
10.17188/1272588

Citation Formats

The Materials Project. Materials Data on Na2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272588.
The Materials Project. Materials Data on Na2O by Materials Project. United States. doi:10.17188/1272588.
The Materials Project. 2020. "Materials Data on Na2O by Materials Project". United States. doi:10.17188/1272588. https://www.osti.gov/servlets/purl/1272588. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1272588,
title = {Materials Data on Na2O by Materials Project},
author = {The Materials Project},
abstractNote = {Na2O is Cotunnite-like structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Na2O sheet oriented in the (0, 0, 1) direction. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Na–O bond lengths are 2.37 Å. In the second Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing NaO4 tetrahedra. There are three shorter (2.35 Å) and one longer (2.48 Å) Na–O bond lengths. O2- is bonded in a 7-coordinate geometry to seven Na1+ atoms.},
doi = {10.17188/1272588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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