Materials Data on HgN2Cl4O by Materials Project

doi:10.17188/1664081

Title: Materials Data on HgN2Cl4O by Materials Project

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Abstract

HgNCl2NClClO crystallizes in the orthorhombic Pbam space group. The structure is zero-dimensional and consists of four chloramine molecules, two ClO clusters, and two HgNCl2 clusters. In each ClO cluster, O2- is bonded in a water-like geometry to two equivalent Cl1- atoms. Both O–Cl bond lengths are 1.81 Å. Cl1- is bonded in an L-shaped geometry to two equivalent O2- atoms. In each HgNCl2 cluster, Hg2+ is bonded in a distorted bent 150 degrees geometry to two equivalent Cl1- atoms. Both Hg–Cl bond lengths are 3.59 Å. N2+ is bonded in a water-like geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.70 Å. Cl1- is bonded in a single-bond geometry to one Hg2+ and one N2+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1202562

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; HgN2Cl4O; Cl-Hg-N-O

OSTI Identifier:: 1664081

DOI:: https://doi.org/10.17188/1664081

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                    The Materials Project. Materials Data on HgN2Cl4O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1664081.

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                    The Materials Project. Materials Data on HgN2Cl4O by Materials Project.  United States.  doi:https://doi.org/10.17188/1664081

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                    The Materials Project. 2020.  
"Materials Data on HgN2Cl4O by Materials Project".  United States.  doi:https://doi.org/10.17188/1664081.  https://www.osti.gov/servlets/purl/1664081. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1664081,

  title        = {Materials Data on HgN2Cl4O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgNCl2NClClO crystallizes in the orthorhombic Pbam space group. The structure is zero-dimensional and consists of four chloramine molecules, two ClO clusters, and two HgNCl2 clusters. In each ClO cluster, O2- is bonded in a water-like geometry to two equivalent Cl1- atoms. Both O–Cl bond lengths are 1.81 Å. Cl1- is bonded in an L-shaped geometry to two equivalent O2- atoms. In each HgNCl2 cluster, Hg2+ is bonded in a distorted bent 150 degrees geometry to two equivalent Cl1- atoms. Both Hg–Cl bond lengths are 3.59 Å. N2+ is bonded in a water-like geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.70 Å. Cl1- is bonded in a single-bond geometry to one Hg2+ and one N2+ atom.},

  doi          = {10.17188/1664081},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1664081

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