Materials Data on C3N by Materials Project

doi:10.17188/1337326

Title: Materials Data on C3N by Materials Project

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Abstract

C3N is BCT5 structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ethanamine, n-methylene- molecules. there are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted single-bond geometry to one C1+ atom. The C–C bond length is 1.35 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one C1+ and one N3- atom. The C–N bond length is 1.22 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.33 Å. N3- is bonded in a bent 150 degrees geometry to two C1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1014333

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; C3N; C-N

OSTI Identifier:: 1337326

DOI:: https://doi.org/10.17188/1337326

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                    The Materials Project. Materials Data on C3N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1337326.

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                    The Materials Project. Materials Data on C3N by Materials Project.  United States.  doi:https://doi.org/10.17188/1337326

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                    The Materials Project. 2020.  
"Materials Data on C3N by Materials Project".  United States.  doi:https://doi.org/10.17188/1337326.  https://www.osti.gov/servlets/purl/1337326. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1337326,

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

  author       = {The Materials Project},

  abstractNote = {C3N is BCT5 structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four ethanamine, n-methylene- molecules. there are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted single-bond geometry to one C1+ atom. The C–C bond length is 1.35 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one C1+ and one N3- atom. The C–N bond length is 1.22 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.33 Å. N3- is bonded in a bent 150 degrees geometry to two C1+ atoms.},

  doi          = {10.17188/1337326},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1337326

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