Materials Data on BC2N by Materials Project

doi:10.17188/1705750

Title: Materials Data on BC2N by Materials Project

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Abstract

BC2N crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to two equivalent C and one N3- atom. Both B–C bond lengths are 1.60 Å. The B–N bond length is 1.42 Å. C is bonded to one B3+, two equivalent C, and one N3- atom to form distorted corner-sharing CBC2N tetrahedra. There is one shorter (1.57 Å) and one longer (1.60 Å) C–C bond length. The C–N bond length is 1.47 Å. N3- is bonded in a trigonal planar geometry to one B3+ and two equivalent C atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1078541

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-N; BC2N; crystal structure

OSTI Identifier:: 1705750

DOI:: https://doi.org/10.17188/1705750

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                    Materials Data on BC2N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705750.

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                    Materials Data on BC2N by Materials Project.  United States.  doi:https://doi.org/10.17188/1705750

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                    2020.  
"Materials Data on BC2N by Materials Project".  United States.  doi:https://doi.org/10.17188/1705750.  https://www.osti.gov/servlets/purl/1705750. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1705750,

  title        = {Materials Data on BC2N by Materials Project},

  
  abstractNote = {BC2N crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. B3+ is bonded in a trigonal planar geometry to two equivalent C and one N3- atom. Both B–C bond lengths are 1.60 Å. The B–N bond length is 1.42 Å. C is bonded to one B3+, two equivalent C, and one N3- atom to form distorted corner-sharing CBC2N tetrahedra. There is one shorter (1.57 Å) and one longer (1.60 Å) C–C bond length. The C–N bond length is 1.47 Å. N3- is bonded in a trigonal planar geometry to one B3+ and two equivalent C atoms.},

  doi          = {10.17188/1705750},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1705750

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