Materials Data on Cu2HgI4 by Materials Project

doi:10.17188/1282390

Title: Materials Data on Cu2HgI4 by Materials Project

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Abstract

Cu2HgI4 crystallizes in the orthorhombic Cccm space group. The structure is two-dimensional and consists of two Cu2HgI4 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Cu–I bond lengths are 2.76 Å. In the second Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Cu–I bond lengths are 2.76 Å. Hg2+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Hg–I bond lengths are 2.92 Å. I1- is bonded in a 3-coordinate geometry to two Cu1+ and one Hg2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-673698

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; Cu2HgI4; Cu-Hg-I

OSTI Identifier:: 1282390

DOI:: https://doi.org/10.17188/1282390

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                    The Materials Project. Materials Data on Cu2HgI4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282390.

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                    The Materials Project. Materials Data on Cu2HgI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282390

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                    The Materials Project. 2020.  
"Materials Data on Cu2HgI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282390.  https://www.osti.gov/servlets/purl/1282390. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1282390,

  title        = {Materials Data on Cu2HgI4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2HgI4 crystallizes in the orthorhombic Cccm space group. The structure is two-dimensional and consists of two Cu2HgI4 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Cu–I bond lengths are 2.76 Å. In the second Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Cu–I bond lengths are 2.76 Å. Hg2+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Hg–I bond lengths are 2.92 Å. I1- is bonded in a 3-coordinate geometry to two Cu1+ and one Hg2+ atom.},

  doi          = {10.17188/1282390},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1282390

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