Materials Data on K2SnHgSe4 by Materials Project

doi:10.17188/1274850

Title: Materials Data on K2SnHgSe4 by Materials Project

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Abstract

K2HgSnSe4 is Hazelwoodite-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.47 Å) and four longer (3.61 Å) K–Se bond lengths. Hg2+ is bonded to four equivalent Se2- atoms to form distorted HgSe4 tetrahedra that share edges with two equivalent SnSe4 tetrahedra. All Hg–Se bond lengths are 2.77 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share edges with two equivalent HgSe4 tetrahedra. All Sn–Se bond lengths are 2.59 Å. Se2- is bonded in a 6-coordinate geometry to four equivalent K1+, one Hg2+, and one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-568968

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; K2SnHgSe4; Hg-K-Se-Sn

OSTI Identifier:: 1274850

DOI:: https://doi.org/10.17188/1274850

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                    The Materials Project. Materials Data on K2SnHgSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274850.

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                    The Materials Project. Materials Data on K2SnHgSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274850

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                    The Materials Project. 2020.  
"Materials Data on K2SnHgSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274850.  https://www.osti.gov/servlets/purl/1274850. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274850,

  title        = {Materials Data on K2SnHgSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2HgSnSe4 is Hazelwoodite-derived structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are four shorter (3.47 Å) and four longer (3.61 Å) K–Se bond lengths. Hg2+ is bonded to four equivalent Se2- atoms to form distorted HgSe4 tetrahedra that share edges with two equivalent SnSe4 tetrahedra. All Hg–Se bond lengths are 2.77 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share edges with two equivalent HgSe4 tetrahedra. All Sn–Se bond lengths are 2.59 Å. Se2- is bonded in a 6-coordinate geometry to four equivalent K1+, one Hg2+, and one Sn4+ atom.},

  doi          = {10.17188/1274850},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274850

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