Materials Data on Ga2HgO4 by Materials Project

doi:10.17188/1290523

Title: Materials Data on Ga2HgO4 by Materials Project

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Abstract

HgGa2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing GaO5 square pyramids. There are a spread of Ga–O bond distances ranging from 1.88–2.00 Å. In the second Ga3+ site, Ga3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing GaO5 square pyramids. There are a spread of Ga–O bond distances ranging from 1.94–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded to one Hg2+ and three Ga3+ atoms to form distorted corner-sharing OGa3Hg tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-756460

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; Ga2HgO4; Ga-Hg-O

OSTI Identifier:: 1290523

DOI:: https://doi.org/10.17188/1290523

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                    The Materials Project. Materials Data on Ga2HgO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290523.

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                    The Materials Project. Materials Data on Ga2HgO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290523

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                    The Materials Project. 2020.  
"Materials Data on Ga2HgO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290523.  https://www.osti.gov/servlets/purl/1290523. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1290523,

  title        = {Materials Data on Ga2HgO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgGa2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.06–2.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing GaO5 square pyramids. There are a spread of Ga–O bond distances ranging from 1.88–2.00 Å. In the second Ga3+ site, Ga3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing GaO5 square pyramids. There are a spread of Ga–O bond distances ranging from 1.94–1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent Ga3+ atoms. In the third O2- site, O2- is bonded to one Hg2+ and three Ga3+ atoms to form distorted corner-sharing OGa3Hg tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Hg2+ and two equivalent Ga3+ atoms.},

  doi          = {10.17188/1290523},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1290523

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