Materials Data on Na3NO2 by Materials Project

doi:10.17188/1282766

Title: Materials Data on Na3NO2 by Materials Project

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Abstract

Na3NO2 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.68 Å. In the second Na1+ site, Na1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.25 Å) and two longer (2.61 Å) Na–O bond lengths. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 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 2–8°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Na1+ and one N1+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-675597

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; Na3NO2; N-Na-O

OSTI Identifier:: 1282766

DOI:: https://doi.org/10.17188/1282766

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                    The Materials Project. Materials Data on Na3NO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282766.

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                    The Materials Project. Materials Data on Na3NO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282766

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                    The Materials Project. 2020.  
"Materials Data on Na3NO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282766.  https://www.osti.gov/servlets/purl/1282766. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1282766,

  title        = {Materials Data on Na3NO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3NO2 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.68 Å. In the second Na1+ site, Na1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.25 Å) and two longer (2.61 Å) Na–O bond lengths. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 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 2–8°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Na1+ and one N1+ atom.},

  doi          = {10.17188/1282766},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282766

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