Materials Data on Li3BN2 by Materials Project

doi:10.17188/1208556

Title: Materials Data on Li3BN2 by Materials Project

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Abstract

Li3BN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.00–2.44 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.04–2.51 Å. In the third Li1+ site, Li1+ is bonded to four N3- atoms to form corner-sharing LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.10–2.19 Å. B3+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.34 Å) and one longer (1.35 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to six Li1+ and one B3+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to six Li1+ and one B3+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-5001

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; Li3BN2; B-Li-N

OSTI Identifier:: 1208556

DOI:: https://doi.org/10.17188/1208556

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                    The Materials Project. Materials Data on Li3BN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208556.

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                    The Materials Project. Materials Data on Li3BN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208556

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                    The Materials Project. 2020.  
"Materials Data on Li3BN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208556.  https://www.osti.gov/servlets/purl/1208556. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1208556,

  title        = {Materials Data on Li3BN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li3BN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.00–2.44 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.04–2.51 Å. In the third Li1+ site, Li1+ is bonded to four N3- atoms to form corner-sharing LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.10–2.19 Å. B3+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.34 Å) and one longer (1.35 Å) B–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to six Li1+ and one B3+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to six Li1+ and one B3+ atom.},

  doi          = {10.17188/1208556},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1208556

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