Materials Data on Cu2SiHgTe4 by Materials Project

doi:10.17188/1746525

Title: Materials Data on Cu2SiHgTe4 by Materials Project

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Abstract

Cu2HgSiTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent HgTe4 tetrahedra, and corners with four equivalent SiTe4 tetrahedra. All Cu–Te bond lengths are 2.59 Å. Hg2+ is bonded to four equivalent Te2- atoms to form HgTe4 tetrahedra that share corners with four equivalent SiTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. Si4+ is bonded to four equivalent Te2- atoms to form SiTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Si–Te bond lengths are 2.58 Å. Te2- is bonded to two equivalent Cu1+, one Hg2+, and one Si4+ atom to form corner-sharing TeCu2SiHg tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1080131

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; Cu2SiHgTe4; Cu-Hg-Si-Te

OSTI Identifier:: 1746525

DOI:: https://doi.org/10.17188/1746525

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                    The Materials Project. Materials Data on Cu2SiHgTe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746525.

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                    The Materials Project. Materials Data on Cu2SiHgTe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746525

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                    The Materials Project. 2020.  
"Materials Data on Cu2SiHgTe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746525.  https://www.osti.gov/servlets/purl/1746525. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746525,

  title        = {Materials Data on Cu2SiHgTe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2HgSiTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with four equivalent HgTe4 tetrahedra, and corners with four equivalent SiTe4 tetrahedra. All Cu–Te bond lengths are 2.59 Å. Hg2+ is bonded to four equivalent Te2- atoms to form HgTe4 tetrahedra that share corners with four equivalent SiTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. Si4+ is bonded to four equivalent Te2- atoms to form SiTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Si–Te bond lengths are 2.58 Å. Te2- is bonded to two equivalent Cu1+, one Hg2+, and one Si4+ atom to form corner-sharing TeCu2SiHg tetrahedra.},

  doi          = {10.17188/1746525},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746525

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