Materials Data on C3N by Materials Project

doi:10.17188/1337320

Title: Materials Data on C3N by Materials Project

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Abstract

C3N is Hg_xSn structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four trimethylamine molecules. there are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.33 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.43 Å. N3- is bonded in a distorted T-shaped geometry to three C1+ atoms.

Publication Date:: 2020-07-20

Other Number(s):: mp-1014324

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; C-N; C3N; crystal structure

OSTI Identifier:: 1337320

DOI:: https://doi.org/10.17188/1337320

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                    Materials Data on C3N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1337320.

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                    Materials Data on C3N by Materials Project.  United States.  doi:https://doi.org/10.17188/1337320

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                    2020.  
"Materials Data on C3N by Materials Project".  United States.  doi:https://doi.org/10.17188/1337320.  https://www.osti.gov/servlets/purl/1337320. Pub date:Mon Jul 20 04:00:00 UTC 2020

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@article{osti_1337320,

  title        = {Materials Data on C3N by Materials Project},

  
  abstractNote = {C3N is Hg_xSn structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four trimethylamine molecules. there are two inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.33 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.43 Å. N3- is bonded in a distorted T-shaped geometry to three C1+ atoms.},

  doi          = {10.17188/1337320},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1337320

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