Materials Data on Cu2HgI4 by Materials Project

doi:10.17188/1199447

Title: Materials Data on Cu2HgI4 by Materials Project

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Abstract

Cu2HgI4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cu1+ is bonded to four I1- atoms to form CuI4 tetrahedra that share corners with four equivalent CuI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. There are one shorter (2.63 Å) and three longer (2.64 Å) Cu–I bond lengths. Hg2+ is bonded to four I1- atoms to form HgI4 tetrahedra that share corners with eight equivalent CuI4 tetrahedra. There are one shorter (2.88 Å) and three longer (2.89 Å) Hg–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a trigonal non-coplanar geometry to two equivalent Cu1+ and one Hg2+ atom. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to two equivalent Cu1+ and one Hg2+ atom. In the third I1- site, I1- is bonded in a trigonal non-coplanar geometry to two equivalent Cu1+ and one Hg2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-23353

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:: 1199447

DOI:: https://doi.org/10.17188/1199447

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                    The Materials Project. Materials Data on Cu2HgI4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199447.

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                    The Materials Project. Materials Data on Cu2HgI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199447

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                    The Materials Project. 2020.  
"Materials Data on Cu2HgI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199447.  https://www.osti.gov/servlets/purl/1199447. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199447,

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

  author       = {The Materials Project},

  abstractNote = {Cu2HgI4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Cu1+ is bonded to four I1- atoms to form CuI4 tetrahedra that share corners with four equivalent CuI4 tetrahedra and corners with four equivalent HgI4 tetrahedra. There are one shorter (2.63 Å) and three longer (2.64 Å) Cu–I bond lengths. Hg2+ is bonded to four I1- atoms to form HgI4 tetrahedra that share corners with eight equivalent CuI4 tetrahedra. There are one shorter (2.88 Å) and three longer (2.89 Å) Hg–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a trigonal non-coplanar geometry to two equivalent Cu1+ and one Hg2+ atom. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to two equivalent Cu1+ and one Hg2+ atom. In the third I1- site, I1- is bonded in a trigonal non-coplanar geometry to two equivalent Cu1+ and one Hg2+ atom.},

  doi          = {10.17188/1199447},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199447

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