Materials Data on B2CN by Materials Project

doi:10.17188/1325055

Title: Materials Data on B2CN by Materials Project

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Abstract

B2CN is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to three equivalent C3- and one N3- atom to form corner-sharing BC3N tetrahedra. All B–C bond lengths are 1.66 Å. The B–N bond length is 1.52 Å. In the second B3+ site, B3+ is bonded to one C3- and three equivalent N3- atoms to form corner-sharing BCN3 tetrahedra. The B–C bond length is 1.61 Å. All B–N bond lengths are 1.59 Å. C3- is bonded to four B3+ atoms to form CB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 tetrahedra. N3- is bonded to four B3+ atoms to form NB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1008526

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; B2CN; B-C-N

OSTI Identifier:: 1325055

DOI:: https://doi.org/10.17188/1325055

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                    The Materials Project. Materials Data on B2CN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325055.

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                    The Materials Project. Materials Data on B2CN by Materials Project.  United States.  doi:https://doi.org/10.17188/1325055

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                    The Materials Project. 2020.  
"Materials Data on B2CN by Materials Project".  United States.  doi:https://doi.org/10.17188/1325055.  https://www.osti.gov/servlets/purl/1325055. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1325055,

  title        = {Materials Data on B2CN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {B2CN is Enargite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to three equivalent C3- and one N3- atom to form corner-sharing BC3N tetrahedra. All B–C bond lengths are 1.66 Å. The B–N bond length is 1.52 Å. In the second B3+ site, B3+ is bonded to one C3- and three equivalent N3- atoms to form corner-sharing BCN3 tetrahedra. The B–C bond length is 1.61 Å. All B–N bond lengths are 1.59 Å. C3- is bonded to four B3+ atoms to form CB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 tetrahedra. N3- is bonded to four B3+ atoms to form NB4 tetrahedra that share corners with six equivalent CB4 tetrahedra and corners with six equivalent NB4 tetrahedra.},

  doi          = {10.17188/1325055},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1325055

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