Materials Data on CdHgTe2 by Materials Project

doi:10.17188/1758713

Title: Materials Data on CdHgTe2 by Materials Project

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Abstract

HgCdTe2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are one shorter (2.87 Å) and three longer (2.88 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Hg2+ and one Cd2+ atom to form corner-sharing TeCdHg3 tetrahedra. In the second Te2- site, Te2- is bonded to one Hg2+ and three equivalent Cd2+ atoms to form corner-sharing TeCd3Hg tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1226741

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; CdHgTe2; Cd-Hg-Te

OSTI Identifier:: 1758713

DOI:: https://doi.org/10.17188/1758713

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                    The Materials Project. Materials Data on CdHgTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758713.

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                    The Materials Project. Materials Data on CdHgTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758713

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                    The Materials Project. 2020.  
"Materials Data on CdHgTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758713.  https://www.osti.gov/servlets/purl/1758713. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758713,

  title        = {Materials Data on CdHgTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgCdTe2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are one shorter (2.87 Å) and three longer (2.88 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Hg2+ and one Cd2+ atom to form corner-sharing TeCdHg3 tetrahedra. In the second Te2- site, Te2- is bonded to one Hg2+ and three equivalent Cd2+ atoms to form corner-sharing TeCd3Hg tetrahedra.},

  doi          = {10.17188/1758713},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758713

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