skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na3NO2 by Materials Project

Abstract

Na3NO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.33 Å) and two longer (2.62 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.30 Å) and one longer (2.68 Å) Na–O bond lengths. N1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent N1+ atoms. In the second O2- site, O2- is bonded to six Na1+ atoms to form corner-sharing ONa6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.

Publication Date:
Other Number(s):
mp-674382
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; Na3NO2; N-Na-O
OSTI Identifier:
1282490
DOI:
10.17188/1282490

Citation Formats

The Materials Project. Materials Data on Na3NO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282490.
The Materials Project. Materials Data on Na3NO2 by Materials Project. United States. doi:10.17188/1282490.
The Materials Project. 2020. "Materials Data on Na3NO2 by Materials Project". United States. doi:10.17188/1282490. https://www.osti.gov/servlets/purl/1282490. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282490,
title = {Materials Data on Na3NO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3NO2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.33 Å) and two longer (2.62 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.30 Å) and one longer (2.68 Å) Na–O bond lengths. N1+ is bonded in an L-shaped geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent N1+ atoms. In the second O2- site, O2- is bonded to six Na1+ atoms to form corner-sharing ONa6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.},
doi = {10.17188/1282490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: