Materials Data on MnC8(Br2N)2 by Materials Project

doi:10.17188/1721881

Title: Materials Data on MnC8(Br2N)2 by Materials Project

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Abstract

MnBr4CC4NC3N is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1-azatricyclo[1.1.0.0^{2,4}]butane molecules; four methane molecules; four tetrabromomanganese molecules; and four C4N clusters. In each C4N cluster, there are four 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 1.56 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.56 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.68 Å. In the fourth C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.44 Å. N3- is bonded in a 4-coordinate geometry to four C1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1180463

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; MnC8(Br2N)2; Br-C-Mn-N

OSTI Identifier:: 1721881

DOI:: https://doi.org/10.17188/1721881

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                    The Materials Project. Materials Data on MnC8(Br2N)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721881.

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                    The Materials Project. Materials Data on MnC8(Br2N)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721881

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                    The Materials Project. 2020.  
"Materials Data on MnC8(Br2N)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721881.  https://www.osti.gov/servlets/purl/1721881. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1721881,

  title        = {Materials Data on MnC8(Br2N)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnBr4CC4NC3N is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 1-azatricyclo[1.1.0.0^{2,4}]butane molecules; four methane molecules; four tetrabromomanganese molecules; and four C4N clusters. In each C4N cluster, there are four 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 1.56 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.56 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.68 Å. In the fourth C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.44 Å. N3- is bonded in a 4-coordinate geometry to four C1+ atoms.},

  doi          = {10.17188/1721881},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1721881

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