Materials Data on Na5LiN2 by Materials Project

doi:10.17188/1204351

Title: Materials Data on Na5LiN2 by Materials Project

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Abstract

Na5LiN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.59 Å) and one longer (2.60 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.56–2.61 Å. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.57 Å) and one longer (2.63 Å) Na–N bond lengths. In the fourth Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.57–2.60 Å. In the fifth Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.20 Å. Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.19 Å) and one longer (2.21 Å) Li–N bond lengths. There are two inequivalent N3- sites. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-29930

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; Na5LiN2; Li-N-Na

OSTI Identifier:: 1204351

DOI:: https://doi.org/10.17188/1204351

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                    The Materials Project. Materials Data on Na5LiN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204351.

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                    The Materials Project. Materials Data on Na5LiN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204351

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                    The Materials Project. 2020.  
"Materials Data on Na5LiN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204351.  https://www.osti.gov/servlets/purl/1204351. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1204351,

  title        = {Materials Data on Na5LiN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na5LiN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.59 Å) and one longer (2.60 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.56–2.61 Å. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.57 Å) and one longer (2.63 Å) Na–N bond lengths. In the fourth Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.57–2.60 Å. In the fifth Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.20 Å. Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.19 Å) and one longer (2.21 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to eight Na1+ atoms to form a mixture of distorted corner and edge-sharing NNa8 hexagonal bipyramids. In the second N3- site, N3- is bonded to six Na1+ and two equivalent Li1+ atoms to form distorted NNa6Li2 hexagonal bipyramids that share corners with two equivalent NNa6Li2 hexagonal bipyramids and edges with six NNa8 hexagonal bipyramids.},

  doi          = {10.17188/1204351},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1204351

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