Materials Data on HgI2 by Materials Project

doi:10.17188/1199293

Title: Materials Data on HgI2 by Materials Project

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Abstract

HgI2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to six I1- atoms to form distorted edge-sharing HgI6 octahedra. There are a spread of Hg–I bond distances ranging from 2.65–3.77 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-23173

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; Hg-I; HgI2; crystal structure

OSTI Identifier:: 1199293

DOI:: https://doi.org/10.17188/1199293

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                    Materials Data on HgI2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199293.

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                    Materials Data on HgI2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199293

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                    2020.  
"Materials Data on HgI2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199293.  https://www.osti.gov/servlets/purl/1199293. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199293,

  title        = {Materials Data on HgI2 by Materials Project},

  
  abstractNote = {HgI2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two HgI2 sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to six I1- atoms to form distorted edge-sharing HgI6 octahedra. There are a spread of Hg–I bond distances ranging from 2.65–3.77 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ atoms.},

  doi          = {10.17188/1199293},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199293

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