Materials Data on ZnHgC4(SeN)4 by Materials Project

doi:10.17188/1705455

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

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Abstract

HgZnC4(NSe)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.71 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.98 Å. C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.18 Å. The C–Se bond length is 1.81 Å. N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. Se2- is bonded in a distorted L-shaped geometry to one Hg2+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104758

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(SeN)4; C-Hg-N-Se-Zn

OSTI Identifier:: 1705455

DOI:: https://doi.org/10.17188/1705455

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                    The Materials Project. Materials Data on ZnHgC4(SeN)4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1705455.

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                    The Materials Project. Materials Data on ZnHgC4(SeN)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705455

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                    The Materials Project. 2018.  
"Materials Data on ZnHgC4(SeN)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705455.  https://www.osti.gov/servlets/purl/1705455. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1705455,

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

  author       = {The Materials Project},

  abstractNote = {HgZnC4(NSe)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.71 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.98 Å. C4+ is bonded in a single-bond geometry to one N3- and one Se2- atom. The C–N bond length is 1.18 Å. The C–Se bond length is 1.81 Å. N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. Se2- is bonded in a distorted L-shaped geometry to one Hg2+ and one C4+ atom.},

  doi          = {10.17188/1705455},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1705455

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