Materials Data on BN by Materials Project

doi:10.17188/1278953

Title: Materials Data on BN by Materials Project

Dataset
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Abstract

BN is Boron Nitride-like structured and crystallizes in the hexagonal P6_3mc 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.

Publication Date:: 2020-05-29

Other Number(s):: mp-629015

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; BN; crystal structure

OSTI Identifier:: 1278953

DOI:: https://doi.org/10.17188/1278953

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                    Materials Data on BN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278953.

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                    Materials Data on BN by Materials Project.  United States.  doi:https://doi.org/10.17188/1278953

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                    2020.  
"Materials Data on BN by Materials Project".  United States.  doi:https://doi.org/10.17188/1278953.  https://www.osti.gov/servlets/purl/1278953. Pub date:Fri May 29 00:00:00 EDT 2020

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@article{osti_1278953,

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

  
  abstractNote = {BN is Boron Nitride-like structured and crystallizes in the hexagonal P6_3mc 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          = {10.17188/1278953},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1278953

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Materials Data on BN by Materials Project

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BN is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. B3+ is bonded to four equivalent N3- atoms to form corner-sharing BN4 tetrahedra. There is three shorter (1.57 Å) and one longer (1.58 Å) B–N bond length. N3- is bonded to four equivalent B3+ atoms to form corner-sharing NB4 tetrahedra.
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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
Materials Data on BN by Materials Project

Dataset

BN is Boron Nitride 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.

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