Materials Data on HgNCl3O by Materials Project

doi:10.17188/1753809

Title: Materials Data on HgNCl3O by Materials Project

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Abstract

HgCl2NOCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four mercuric chloride molecules and four NOCl ribbons oriented in the (1, 0, 0) direction. In each NOCl ribbon, N3+ is bonded in a distorted trigonal non-coplanar geometry to two equivalent O2- and one Cl1- atom. Both N–O bond lengths are 1.69 Å. The N–Cl bond length is 1.67 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent N3+ atoms. Cl1- is bonded in a single-bond geometry to one N3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1181074

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; HgNCl3O; Cl-Hg-N-O

OSTI Identifier:: 1753809

DOI:: https://doi.org/10.17188/1753809

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                    The Materials Project. Materials Data on HgNCl3O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753809.

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                    The Materials Project. Materials Data on HgNCl3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1753809

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                    The Materials Project. 2020.  
"Materials Data on HgNCl3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1753809.  https://www.osti.gov/servlets/purl/1753809. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1753809,

  title        = {Materials Data on HgNCl3O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgCl2NOCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four mercuric chloride molecules and four NOCl ribbons oriented in the (1, 0, 0) direction. In each NOCl ribbon, N3+ is bonded in a distorted trigonal non-coplanar geometry to two equivalent O2- and one Cl1- atom. Both N–O bond lengths are 1.69 Å. The N–Cl bond length is 1.67 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent N3+ atoms. Cl1- is bonded in a single-bond geometry to one N3+ atom.},

  doi          = {10.17188/1753809},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753809

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