Materials Data on Al2HgS4 by Materials Project

doi:10.17188/1307811

Title: Materials Data on Al2HgS4 by Materials Project

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Abstract

HgAl2S4 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 AlS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Al3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-7906

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; Al2HgS4; Al-Hg-S

OSTI Identifier:: 1307811

DOI:: https://doi.org/10.17188/1307811

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                    The Materials Project. Materials Data on Al2HgS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307811.

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                    The Materials Project. Materials Data on Al2HgS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307811

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                    The Materials Project. 2020.  
"Materials Data on Al2HgS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307811.  https://www.osti.gov/servlets/purl/1307811. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1307811,

  title        = {Materials Data on Al2HgS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgAl2S4 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 AlS4 tetrahedra. All Hg–S bond lengths are 2.59 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent HgS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Al3+ atoms.},

  doi          = {10.17188/1307811},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1307811

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