Materials Data on H2CN2 by Materials Project

doi:10.17188/1285640

Title: Materials Data on H2CN2 by Materials Project

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Abstract

CN2H2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight cyanamide molecules. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.31 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-703527

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; H2CN2; C-H-N

OSTI Identifier:: 1285640

DOI:: https://doi.org/10.17188/1285640

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                    The Materials Project. Materials Data on H2CN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285640.

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                    The Materials Project. Materials Data on H2CN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285640

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                    The Materials Project. 2020.  
"Materials Data on H2CN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285640.  https://www.osti.gov/servlets/purl/1285640. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1285640,

  title        = {Materials Data on H2CN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CN2H2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight cyanamide molecules. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.31 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one C4+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},

  doi          = {10.17188/1285640},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1285640

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