Materials Data on CI by Materials Project

doi:10.17188/1711586

Title: Materials Data on CI by Materials Project

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Abstract

CI1 is Cyanogen Chloride-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of eight diiodoacetylene molecules. there are two inequivalent C sites. In the first C site, C is bonded in a linear geometry to one C and one I atom. The C–C bond length is 1.23 Å. The C–I bond length is 1.99 Å. In the second C site, C is bonded in a linear geometry to one C and one I atom. The C–I bond length is 1.99 Å. There are two inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one C atom. In the second I site, I is bonded in a single-bond geometry to one C atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-1197830

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-I; CI; crystal structure

OSTI Identifier:: 1711586

DOI:: https://doi.org/10.17188/1711586

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                    Materials Data on CI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711586.

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                    Materials Data on CI by Materials Project.  United States.  doi:https://doi.org/10.17188/1711586

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                    2020.  
"Materials Data on CI by Materials Project".  United States.  doi:https://doi.org/10.17188/1711586.  https://www.osti.gov/servlets/purl/1711586. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711586,

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

  
  abstractNote = {CI1 is Cyanogen Chloride-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of eight diiodoacetylene molecules. there are two inequivalent C sites. In the first C site, C is bonded in a linear geometry to one C and one I atom. The C–C bond length is 1.23 Å. The C–I bond length is 1.99 Å. In the second C site, C is bonded in a linear geometry to one C and one I atom. The C–I bond length is 1.99 Å. There are two inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one C atom. In the second I site, I is bonded in a single-bond geometry to one C atom.},

  doi          = {10.17188/1711586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711586

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