U.S. Department of EnergyOffice of Scientific and Technical Information
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
- 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; Na3NO2; crystal structure
- OSTI Identifier:
- 1282490
- DOI:
- https://doi.org/10.17188/1282490
Citation Formats
Materials Data on Na3NO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282490.
Materials Data on Na3NO2 by Materials Project. United States. doi:https://doi.org/10.17188/1282490
2020.
"Materials Data on Na3NO2 by Materials Project". United States. doi:https://doi.org/10.17188/1282490. https://www.osti.gov/servlets/purl/1282490. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1282490,
title = {Materials Data on Na3NO2 by 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}
}