Materials Data on HgNCl3O by Materials Project

doi:10.17188/1707550

Title: Materials Data on HgNCl3O by Materials Project

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Abstract

HgCl3NO crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgCl3 ribbons oriented in the (1, 0, 0) direction and four NO ribbons oriented in the (1, 0, 0) direction. In each HgCl3 ribbon, Hg2+ is bonded in a 2-coordinate geometry to four Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.40–2.84 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In each NO ribbon, N3+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.49 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent N3+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1192204

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:: 1707550

DOI:: https://doi.org/10.17188/1707550

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                    The Materials Project. Materials Data on HgNCl3O by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707550.

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                    The Materials Project. Materials Data on HgNCl3O by Materials Project.  United States.  doi:https://doi.org/10.17188/1707550

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                    The Materials Project. 2019.  
"Materials Data on HgNCl3O by Materials Project".  United States.  doi:https://doi.org/10.17188/1707550.  https://www.osti.gov/servlets/purl/1707550. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1707550,

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

  author       = {The Materials Project},

  abstractNote = {HgCl3NO crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgCl3 ribbons oriented in the (1, 0, 0) direction and four NO ribbons oriented in the (1, 0, 0) direction. In each HgCl3 ribbon, Hg2+ is bonded in a 2-coordinate geometry to four Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.40–2.84 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In each NO ribbon, N3+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.49 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent N3+ atoms.},

  doi          = {10.17188/1707550},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1707550

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