Materials Data on Hg2H18C3I7N9 by Materials Project

doi:10.17188/1676553

Title: Materials Data on Hg2H18C3I7N9 by Materials Project

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Abstract

Hg2I7(CN3H6)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve guanidinium molecules and four Hg2I7 clusters. In each Hg2I7 cluster, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.80–2.91 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the second I1- site, I1- is bonded in a bent 120 degrees geometry to two equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom.

Publication Date:: 2019-01-11

Other Number(s):: mp-1212543

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-H-Hg-I-N; Hg2H18C3I7N9; crystal structure

OSTI Identifier:: 1676553

DOI:: https://doi.org/10.17188/1676553

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                    Materials Data on Hg2H18C3I7N9 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676553.

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                    Materials Data on Hg2H18C3I7N9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676553

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                    2019.  
"Materials Data on Hg2H18C3I7N9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676553.  https://www.osti.gov/servlets/purl/1676553. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1676553,

  title        = {Materials Data on Hg2H18C3I7N9 by Materials Project},

  
  abstractNote = {Hg2I7(CN3H6)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of twelve guanidinium molecules and four Hg2I7 clusters. In each Hg2I7 cluster, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.80–2.91 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the second I1- site, I1- is bonded in a bent 120 degrees geometry to two equivalent Hg2+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom.},

  doi          = {10.17188/1676553},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1676553

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