Materials Data on Cu2SnHgSe4 by Materials Project

doi:10.17188/1192035

Title: Materials Data on Cu2SnHgSe4 by Materials Project

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Abstract

Cu2HgSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent HgSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.72 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two equivalent Cu1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeCu2SnHg tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-16566

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; Cu2SnHgSe4; Cu-Hg-Se-Sn

OSTI Identifier:: 1192035

DOI:: https://doi.org/10.17188/1192035

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                    The Materials Project. Materials Data on Cu2SnHgSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192035.

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                    The Materials Project. Materials Data on Cu2SnHgSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192035

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                    The Materials Project. 2020.  
"Materials Data on Cu2SnHgSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192035.  https://www.osti.gov/servlets/purl/1192035. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1192035,

  title        = {Materials Data on Cu2SnHgSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2HgSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra, corners with four equivalent HgSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Hg–Se bond lengths are 2.72 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.62 Å. Se2- is bonded to two equivalent Cu1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeCu2SnHg tetrahedra.},

  doi          = {10.17188/1192035},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192035

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