Materials Data on CNClO by Materials Project

doi:10.17188/1667146

Title: Materials Data on CNClO by Materials Project

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Abstract

ClNCO crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight ~{o}-(chloromethyl)hydroxylamine molecules. C4+ is bonded in a water-like geometry to one O2- and one Cl1- atom. The C–O bond length is 1.40 Å. The C–Cl bond length is 1.71 Å. N1- is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.29 Å. O2- is bonded in a bent 120 degrees geometry to one C4+ and one N1- atom. Cl1- is bonded in a single-bond geometry to one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-1105579

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; CNClO; C-Cl-N-O

OSTI Identifier:: 1667146

DOI:: https://doi.org/10.17188/1667146

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                    The Materials Project. Materials Data on CNClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1667146.

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                    The Materials Project. Materials Data on CNClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1667146

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                    The Materials Project. 2020.  
"Materials Data on CNClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1667146.  https://www.osti.gov/servlets/purl/1667146. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1667146,

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

  author       = {The Materials Project},

  abstractNote = {ClNCO crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight ~{o}-(chloromethyl)hydroxylamine molecules. C4+ is bonded in a water-like geometry to one O2- and one Cl1- atom. The C–O bond length is 1.40 Å. The C–Cl bond length is 1.71 Å. N1- is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.29 Å. O2- is bonded in a bent 120 degrees geometry to one C4+ and one N1- atom. Cl1- is bonded in a single-bond geometry to one C4+ atom.},

  doi          = {10.17188/1667146},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1667146

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