Materials Data on BN by Materials Project

doi:10.17188/1275196

Title: Materials Data on BN by Materials Project

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Abstract

BN crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one BN sheet oriented in the (1, 0, 0) direction. B3+ is bonded in a distorted trigonal planar geometry to three equivalent N3- atoms. There is one shorter (1.41 Å) and two longer (1.48 Å) B–N bond length. N3- is bonded in a distorted T-shaped geometry to three equivalent B3+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-569655

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:: 1275196

DOI:: https://doi.org/10.17188/1275196

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                    The Materials Project. Materials Data on BN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275196.

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                    The Materials Project. Materials Data on BN by Materials Project.  United States.  doi:https://doi.org/10.17188/1275196

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                    The Materials Project. 2020.  
"Materials Data on BN by Materials Project".  United States.  doi:https://doi.org/10.17188/1275196.  https://www.osti.gov/servlets/purl/1275196. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1275196,

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

  author       = {The Materials Project},

  abstractNote = {BN crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one BN sheet oriented in the (1, 0, 0) direction. B3+ is bonded in a distorted trigonal planar geometry to three equivalent N3- atoms. There is one shorter (1.41 Å) and two longer (1.48 Å) B–N bond length. N3- is bonded in a distorted T-shaped geometry to three equivalent B3+ atoms.},

  doi          = {10.17188/1275196},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275196

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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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