Materials Data on Tl2SiHgSe4 by Materials Project

doi:10.17188/1665651

Title: Materials Data on Tl2SiHgSe4 by Materials Project

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Abstract

Tl2HgSiSe4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Hg2+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.75 Å. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight equivalent Se2- atoms. Both Tl–Tl bond lengths are 3.43 Å. There are four shorter (3.38 Å) and four longer (3.69 Å) Tl–Se bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Si–Se bond lengths are 2.32 Å. Se2- is bonded in a 2-coordinate geometry to one Hg2+, four equivalent Tl1+, and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1079426

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; Tl2SiHgSe4; Hg-Se-Si-Tl

OSTI Identifier:: 1665651

DOI:: https://doi.org/10.17188/1665651

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                    The Materials Project. Materials Data on Tl2SiHgSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1665651.

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                    The Materials Project. Materials Data on Tl2SiHgSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1665651

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                    The Materials Project. 2020.  
"Materials Data on Tl2SiHgSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1665651.  https://www.osti.gov/servlets/purl/1665651. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1665651,

  title        = {Materials Data on Tl2SiHgSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl2HgSiSe4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Hg2+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. All Hg–Se bond lengths are 2.75 Å. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight equivalent Se2- atoms. Both Tl–Tl bond lengths are 3.43 Å. There are four shorter (3.38 Å) and four longer (3.69 Å) Tl–Se bond lengths. Si4+ is bonded in a tetrahedral geometry to four equivalent Se2- atoms. All Si–Se bond lengths are 2.32 Å. Se2- is bonded in a 2-coordinate geometry to one Hg2+, four equivalent Tl1+, and one Si4+ atom.},

  doi          = {10.17188/1665651},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1665651

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