Materials Data on BaCN2 by Materials Project

doi:10.17188/1202974

Title: Materials Data on BaCN2 by Materials Project

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Abstract

BaCN2 is Potassium Silver Cyanide-derived structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing BaN6 pentagonal pyramids. There are a spread of Ba–N bond distances ranging from 2.78–2.91 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-28898

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; BaCN2; Ba-C-N

OSTI Identifier:: 1202974

DOI:: https://doi.org/10.17188/1202974

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                    The Materials Project. Materials Data on BaCN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202974.

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                    The Materials Project. Materials Data on BaCN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202974

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                    The Materials Project. 2020.  
"Materials Data on BaCN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202974.  https://www.osti.gov/servlets/purl/1202974. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1202974,

  title        = {Materials Data on BaCN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaCN2 is Potassium Silver Cyanide-derived structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing BaN6 pentagonal pyramids. There are a spread of Ba–N bond distances ranging from 2.78–2.91 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one C4+ atom.},

  doi          = {10.17188/1202974},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1202974

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