Materials Data on HgNCl by Materials Project

doi:10.17188/1752871

Title: Materials Data on HgNCl by Materials Project

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Abstract

HgNCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgNCl ribbons oriented in the (1, 0, 0) direction. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.12 Å. N1- is bonded in a trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.78 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.11 Å. N1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.79 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom.

Authors:: The Materials Project

Publication Date:: 2019-09-05

Other Number(s):: mp-1190779

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; HgNCl; Cl-Hg-N

OSTI Identifier:: 1752871

DOI:: https://doi.org/10.17188/1752871

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                    The Materials Project. Materials Data on HgNCl by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1752871.

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                    The Materials Project. Materials Data on HgNCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1752871

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                    The Materials Project. 2019.  
"Materials Data on HgNCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1752871.  https://www.osti.gov/servlets/purl/1752871. Pub date:Thu Sep 05 00:00:00 EDT 2019

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@article{osti_1752871,

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

  author       = {The Materials Project},

  abstractNote = {HgNCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgNCl ribbons oriented in the (1, 0, 0) direction. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.12 Å. N1- is bonded in a trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.78 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.11 Å. N1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.79 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom.},

  doi          = {10.17188/1752871},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1752871

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