Materials Data on LiB(CN)4 by Materials Project

doi:10.17188/1189676

Title: Materials Data on LiB(CN)4 by Materials Project

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Abstract

LiBC4N4 is Tetraauricupride structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one boron, metallic molecule and one Li(CN)4 cluster. In the Li(CN)4 cluster, Li1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.06 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Li1+ and one C2+ atom.

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-13590

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; B-C-Li-N; LiB(CN)4; crystal structure

OSTI Identifier:: 1189676

DOI:: https://doi.org/10.17188/1189676

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                    Materials Data on LiB(CN)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189676.

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                    Materials Data on LiB(CN)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189676

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                    2020.  
"Materials Data on LiB(CN)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189676.  https://www.osti.gov/servlets/purl/1189676. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189676,

  title        = {Materials Data on LiB(CN)4 by Materials Project},

  
  abstractNote = {LiBC4N4 is Tetraauricupride structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one boron, metallic molecule and one Li(CN)4 cluster. In the Li(CN)4 cluster, Li1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.06 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Li1+ and one C2+ atom.},

  doi          = {10.17188/1189676},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189676

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