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Title: Materials Data on Na2O2 by Materials Project

Abstract

Na2O2 is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.34 Å) and two longer (2.40 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.42 Å) and four longer (2.49 Å) Na–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 7-coordinate geometry to six Na and one O atom. The O–O bond length is 1.54 Å. In the second O site, O is bonded to six Na and one O atom to form a mixture of distorted corner, edge, and face-sharing ONa6O pentagonal bipyramids. The O–O bond length is 1.55 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-2340
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; Na2O2; Na-O
OSTI Identifier:
1182584
DOI:
10.17188/1182584

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na2O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1182584.
Persson, Kristin, & Project, Materials. Materials Data on Na2O2 by Materials Project. United States. doi:10.17188/1182584.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na2O2 by Materials Project". United States. doi:10.17188/1182584. https://www.osti.gov/servlets/purl/1182584. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1182584,
title = {Materials Data on Na2O2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na2O2 is alpha boron-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.34 Å) and two longer (2.40 Å) Na–O bond lengths. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.42 Å) and four longer (2.49 Å) Na–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a 7-coordinate geometry to six Na and one O atom. The O–O bond length is 1.54 Å. In the second O site, O is bonded to six Na and one O atom to form a mixture of distorted corner, edge, and face-sharing ONa6O pentagonal bipyramids. The O–O bond length is 1.55 Å.},
doi = {10.17188/1182584},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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