U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-560068
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; N-Na-O; Na3NO4; crystal structure
- OSTI Identifier:
- 1271250
- DOI:
- https://doi.org/10.17188/1271250
Citation Formats
Materials Data on Na3NO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271250.
Materials Data on Na3NO4 by Materials Project. United States. doi:https://doi.org/10.17188/1271250
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},
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 = {2020},
month = {4}
}