Materials Data on Ga2HgS4 by Materials Project

doi:10.17188/1208414

Title: Materials Data on Ga2HgS4 by Materials Project

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Abstract

HgGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-4809

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; Ga2HgS4; Ga-Hg-S

OSTI Identifier:: 1208414

DOI:: https://doi.org/10.17188/1208414

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                    The Materials Project. Materials Data on Ga2HgS4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1208414.

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                    The Materials Project. Materials Data on Ga2HgS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208414

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                    The Materials Project. 2017.  
"Materials Data on Ga2HgS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208414.  https://www.osti.gov/servlets/purl/1208414. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1208414,

  title        = {Materials Data on Ga2HgS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgGa2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with eight GaS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent GaS4 tetrahedra. All Ga–S bond lengths are 2.31 Å. S2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.},

  doi          = {10.17188/1208414},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1208414

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