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Title: Materials Data on Na3NO3 by Materials Project

Abstract

Na3ONO2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. There are two shorter (2.33 Å) and four longer (2.60 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.58 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six Na1+ atoms to form corner-sharing ONa6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Na1+ and one N3+ atom.

Publication Date:
Other Number(s):
mp-1176513
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; Na3NO3; N-Na-O
OSTI Identifier:
1676827
DOI:
https://doi.org/10.17188/1676827

Citation Formats

The Materials Project. Materials Data on Na3NO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676827.
The Materials Project. Materials Data on Na3NO3 by Materials Project. United States. doi:https://doi.org/10.17188/1676827
The Materials Project. 2020. "Materials Data on Na3NO3 by Materials Project". United States. doi:https://doi.org/10.17188/1676827. https://www.osti.gov/servlets/purl/1676827. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1676827,
title = {Materials Data on Na3NO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3ONO2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form corner-sharing NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–56°. There are two shorter (2.33 Å) and four longer (2.60 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.58 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six Na1+ atoms to form corner-sharing ONa6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Na1+ and one N3+ atom.},
doi = {10.17188/1676827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}