Materials Data on BN by Materials Project

doi:10.17188/1272618

Title: Materials Data on BN by Materials Project

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Abstract

BN is Boron Nitride-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two BN sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.45 Å. N3- is bonded in a trigonal planar geometry to three equivalent B3+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-7991

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; BN; B-N

OSTI Identifier:: 1272618

DOI:: https://doi.org/10.17188/1272618

Citation Formats


                    The Materials Project. Materials Data on BN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272618.

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                    The Materials Project. Materials Data on BN by Materials Project.  United States.  doi:https://doi.org/10.17188/1272618

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                    The Materials Project. 2020.  
"Materials Data on BN by Materials Project".  United States.  doi:https://doi.org/10.17188/1272618.  https://www.osti.gov/servlets/purl/1272618. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1272618,

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

  author       = {The Materials Project},

  abstractNote = {BN is Boron Nitride-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two BN sheets oriented in the (0, 0, 1) direction. B3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All B–N bond lengths are 1.45 Å. N3- is bonded in a trigonal planar geometry to three equivalent B3+ atoms.},

  doi          = {10.17188/1272618},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272618

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Materials Data on BN by Materials Project

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BN is Boron Nitride-like structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.45 Å) and one longer (1.47 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of B–N bond distances ranging from 1.44–1.49 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonalmore »« less
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Materials Data on BN by Materials Project

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BN crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.43 Å) and one longer (1.54 Å) B–N bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.44 Å) and one longer (1.48 Å) B–N bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three N3- atoms. There is twomore »« less
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