Materials Data on HgH10C3I3N by Materials Project

doi:10.17188/1268494

Title: Materials Data on HgH10C3I3N by Materials Project

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Abstract

HgI3C3H7NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four trimethylazanium molecules and two HgI3 ribbons oriented in the (1, 0, 0) direction. In each HgI3 ribbon, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.77–3.09 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-569533

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; HgH10C3I3N; C-H-Hg-I-N

OSTI Identifier:: 1268494

DOI:: https://doi.org/10.17188/1268494

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                    The Materials Project. Materials Data on HgH10C3I3N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268494.

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                    The Materials Project. Materials Data on HgH10C3I3N by Materials Project.  United States.  doi:https://doi.org/10.17188/1268494

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                    The Materials Project. 2020.  
"Materials Data on HgH10C3I3N by Materials Project".  United States.  doi:https://doi.org/10.17188/1268494.  https://www.osti.gov/servlets/purl/1268494. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1268494,

  title        = {Materials Data on HgH10C3I3N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgI3C3H7NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four trimethylazanium molecules and two HgI3 ribbons oriented in the (1, 0, 0) direction. In each HgI3 ribbon, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.77–3.09 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom.},

  doi          = {10.17188/1268494},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1268494

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