Materials Data on C(N2O)2 by Materials Project

doi:10.17188/1714942

Title: Materials Data on C(N2O)2 by Materials Project

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Abstract

CN2N2O2 crystallizes in the orthorhombic Fdd2 space group. The structure is one-dimensional and consists of sixteen methanediamine molecules; sixteen N2 ribbons oriented in the (1, 0, 0) direction; and twenty-four O2 ribbons oriented in the (1, 0, 0) direction. In each N2 ribbon, there are two inequivalent N sites. In the first N site, N is bonded in a T-shaped geometry to three N atoms. There is one shorter (1.29 Å) and two longer (1.65 Å) N–N bond length. In the second N site, N is bonded in a distorted T-shaped geometry to three N atoms. Both N–N bond lengths are 1.65 Å. In eight of the O2 ribbons, O2- is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There is two shorter (1.65 Å) and one longer (2.25 Å) O–O bond length. In sixteen of the O2 ribbons, O2- is bonded in a distorted linear geometry to two equivalent O2- atoms. Both O–O bond lengths are 1.65 Å.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1182835

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; C(N2O)2; C-N-O

OSTI Identifier:: 1714942

DOI:: https://doi.org/10.17188/1714942

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                    The Materials Project. Materials Data on C(N2O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1714942.

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                    The Materials Project. Materials Data on C(N2O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1714942

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                    The Materials Project. 2020.  
"Materials Data on C(N2O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1714942.  https://www.osti.gov/servlets/purl/1714942. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1714942,

  title        = {Materials Data on C(N2O)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CN2N2O2 crystallizes in the orthorhombic Fdd2 space group. The structure is one-dimensional and consists of sixteen methanediamine molecules; sixteen N2 ribbons oriented in the (1, 0, 0) direction; and twenty-four O2 ribbons oriented in the (1, 0, 0) direction. In each N2 ribbon, there are two inequivalent N sites. In the first N site, N is bonded in a T-shaped geometry to three N atoms. There is one shorter (1.29 Å) and two longer (1.65 Å) N–N bond length. In the second N site, N is bonded in a distorted T-shaped geometry to three N atoms. Both N–N bond lengths are 1.65 Å. In eight of the O2 ribbons, O2- is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There is two shorter (1.65 Å) and one longer (2.25 Å) O–O bond length. In sixteen of the O2 ribbons, O2- is bonded in a distorted linear geometry to two equivalent O2- atoms. Both O–O bond lengths are 1.65 Å.},

  doi          = {10.17188/1714942},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1714942

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