Materials Data on ZnHgC4(SN)4 by Materials Project

doi:10.17188/1266279

Title: Materials Data on ZnHgC4(SN)4 by Materials Project

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Abstract

ZnHg(SCN)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Hg–S bond lengths are 2.62 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.97 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-541863

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; ZnHgC4(SN)4; C-Hg-N-S-Zn

OSTI Identifier:: 1266279

DOI:: https://doi.org/10.17188/1266279

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                    The Materials Project. Materials Data on ZnHgC4(SN)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266279.

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                    The Materials Project. Materials Data on ZnHgC4(SN)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266279

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                    The Materials Project. 2020.  
"Materials Data on ZnHgC4(SN)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266279.  https://www.osti.gov/servlets/purl/1266279. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1266279,

  title        = {Materials Data on ZnHgC4(SN)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnHg(SCN)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Hg–S bond lengths are 2.62 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.97 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom.},

  doi          = {10.17188/1266279},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266279

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