Materials Data on B13N2 by Materials Project

doi:10.17188/1263490

Title: Materials Data on B13N2 by Materials Project

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Abstract

B13N2 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen boron, metallic molecules and three B7N2 clusters. In each B7N2 cluster, there are two inequivalent B+0.23+ sites. In the first B+0.23+ site, B+0.23+ is bonded in a single-bond geometry to one N+1.50- atom. The B–N bond length is 1.57 Å. In the second B+0.23+ site, B+0.23+ is bonded in a linear geometry to two equivalent N+1.50- atoms. Both B–N bond lengths are 1.43 Å. N+1.50- is bonded to four B+0.23+ atoms to form corner-sharing NB4 tetrahedra.

Publication Date:: 2020-07-16

Other Number(s):: mp-534

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-N; B13N2; crystal structure

OSTI Identifier:: 1263490

DOI:: https://doi.org/10.17188/1263490

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                    Materials Data on B13N2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263490.

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                    Materials Data on B13N2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263490

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                    2020.  
"Materials Data on B13N2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263490.  https://www.osti.gov/servlets/purl/1263490. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1263490,

  title        = {Materials Data on B13N2 by Materials Project},

  
  abstractNote = {B13N2 crystallizes in the trigonal R-3m space group. The structure is zero-dimensional and consists of eighteen boron, metallic molecules and three B7N2 clusters. In each B7N2 cluster, there are two inequivalent B+0.23+ sites. In the first B+0.23+ site, B+0.23+ is bonded in a single-bond geometry to one N+1.50- atom. The B–N bond length is 1.57 Å. In the second B+0.23+ site, B+0.23+ is bonded in a linear geometry to two equivalent N+1.50- atoms. Both B–N bond lengths are 1.43 Å. N+1.50- is bonded to four B+0.23+ atoms to form corner-sharing NB4 tetrahedra.},

  doi          = {10.17188/1263490},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263490

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