Materials Data on Al2HgSe4 by Materials Project

doi:10.17188/1204794

Title: Materials Data on Al2HgSe4 by Materials Project

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Abstract

HgAl2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with eight AlSe4 tetrahedra. All Hg–Se bond lengths are 2.71 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. In the second Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Al3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-3038

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; Al2HgSe4; Al-Hg-Se

OSTI Identifier:: 1204794

DOI:: https://doi.org/10.17188/1204794

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                    The Materials Project. Materials Data on Al2HgSe4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204794.

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                    The Materials Project. Materials Data on Al2HgSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204794

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                    The Materials Project. 2020.  
"Materials Data on Al2HgSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204794.  https://www.osti.gov/servlets/purl/1204794. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1204794,

  title        = {Materials Data on Al2HgSe4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgAl2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Se2- atoms to form HgSe4 tetrahedra that share corners with eight AlSe4 tetrahedra. All Hg–Se bond lengths are 2.71 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. In the second Al3+ site, Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with four equivalent AlSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Hg2+ and two Al3+ atoms.},

  doi          = {10.17188/1204794},

  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/10.17188/1204794

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