Materials Data on Sn(HgSe2)2 by Materials Project

doi:10.17188/1187479

Title: Materials Data on Sn(HgSe2)2 by Materials Project

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Abstract

Hg2SnSe4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent SnSe4 tetrahedra. All Hg–Se bond lengths are 2.73 Å. In the second Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent SnSe4 tetrahedra. All Hg–Se bond lengths are 2.73 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with eight HgSe4 tetrahedra. All Sn–Se bond lengths are 2.59 Å. Se2- is bonded in a trigonal non-coplanar geometry to two Hg2+ and one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-10955

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; Sn(HgSe2)2; Hg-Se-Sn

OSTI Identifier:: 1187479

DOI:: https://doi.org/10.17188/1187479

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                    The Materials Project. Materials Data on Sn(HgSe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187479.

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                    The Materials Project. Materials Data on Sn(HgSe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187479

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                    The Materials Project. 2020.  
"Materials Data on Sn(HgSe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187479.  https://www.osti.gov/servlets/purl/1187479. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187479,

  title        = {Materials Data on Sn(HgSe2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hg2SnSe4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent SnSe4 tetrahedra. All Hg–Se bond lengths are 2.73 Å. In the second Hg2+ site, Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent SnSe4 tetrahedra. All Hg–Se bond lengths are 2.73 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with eight HgSe4 tetrahedra. All Sn–Se bond lengths are 2.59 Å. Se2- is bonded in a trigonal non-coplanar geometry to two Hg2+ and one Sn4+ atom.},

  doi          = {10.17188/1187479},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187479

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