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Title: Materials Data on Na3NO4 by Materials Project

Abstract

Na3NO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.94 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–3.14 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.68 Å. N5+ is bonded in a tetrahedral geometry to four O2- atoms. All N–O bond lengths are 1.40 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five Na1+ and one N5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one N5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to six Na1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and onemore » N5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-560068
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; Na3NO4; N-Na-O
OSTI Identifier:
1271250
DOI:
https://doi.org/10.17188/1271250

Citation Formats

The Materials Project. Materials Data on Na3NO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271250.
The Materials Project. Materials Data on Na3NO4 by Materials Project. United States. doi:https://doi.org/10.17188/1271250
The Materials Project. 2020. "Materials Data on Na3NO4 by Materials Project". United States. doi:https://doi.org/10.17188/1271250. https://www.osti.gov/servlets/purl/1271250. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1271250,
title = {Materials Data on Na3NO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3NO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.94 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–3.14 Å. In the third Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.68 Å. N5+ is bonded in a tetrahedral geometry to four O2- atoms. All N–O bond lengths are 1.40 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five Na1+ and one N5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one N5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to six Na1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one N5+ atom.},
doi = {10.17188/1271250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}