Materials Data on CN3Cl by Materials Project

doi:10.17188/1688090

Title: Materials Data on CN3Cl by Materials Project

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Abstract

CN3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CN3Cl clusters. C4+ is bonded in a trigonal planar geometry to three N1- atoms. There are a spread of C–N bond distances ranging from 1.28–1.47 Å. There are three inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N1- atom. The N–N bond length is 1.24 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. In the third N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one N1- atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1188937

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-Cl-N; CN3Cl; crystal structure

OSTI Identifier:: 1688090

DOI:: https://doi.org/10.17188/1688090

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                    Materials Data on CN3Cl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1688090.

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                    Materials Data on CN3Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1688090

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                    2020.  
"Materials Data on CN3Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1688090.  https://www.osti.gov/servlets/purl/1688090. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1688090,

  title        = {Materials Data on CN3Cl by Materials Project},

  
  abstractNote = {CN3Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CN3Cl clusters. C4+ is bonded in a trigonal planar geometry to three N1- atoms. There are a spread of C–N bond distances ranging from 1.28–1.47 Å. There are three inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N1- atom. The N–N bond length is 1.24 Å. In the second N1- site, N1- is bonded in a distorted bent 120 degrees geometry to one C4+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. In the third N1- site, N1- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one N1- atom.},

  doi          = {10.17188/1688090},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1688090

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