Materials Data on NCl3 by Materials Project

doi:10.17188/1264399

Title: Materials Data on NCl3 by Materials Project

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Abstract

NCl3 is Ammonia-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twelve nitrogen trichloride molecules. N3+ is bonded in a trigonal non-coplanar geometry to three Cl1- atoms. All N–Cl bond lengths are 1.78 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N3+ atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-540572

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; Cl-N; NCl3; crystal structure

OSTI Identifier:: 1264399

DOI:: https://doi.org/10.17188/1264399

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                    Materials Data on NCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264399.

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                    Materials Data on NCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264399

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                    2020.  
"Materials Data on NCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264399.  https://www.osti.gov/servlets/purl/1264399. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1264399,

  title        = {Materials Data on NCl3 by Materials Project},

  
  abstractNote = {NCl3 is Ammonia-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of twelve nitrogen trichloride molecules. N3+ is bonded in a trigonal non-coplanar geometry to three Cl1- atoms. All N–Cl bond lengths are 1.78 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N3+ atom.},

  doi          = {10.17188/1264399},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1264399

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