Materials Data on VAg3HgO4 by Materials Project

doi:10.17188/1653023

Title: Materials Data on VAg3HgO4 by Materials Project

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Abstract

VAg3HgO4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V3+ is bonded in a tetrahedral geometry to four O2- atoms. All V–O bond lengths are 1.76 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.47 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.39–2.43 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–2.49 Å. Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.42–2.53 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one V3+, two Ag1+, and one Hg2+ atom to form distorted corner-sharing OVAg2Hg tetrahedra. In the second O2- site, O2- is bonded to one V3+, two Ag1+, and one Hg2+ atom to form distorted corner-sharing OVAg2Hgmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1216423

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; VAg3HgO4; Ag-Hg-O-V

OSTI Identifier:: 1653023

DOI:: https://doi.org/10.17188/1653023

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                    The Materials Project. Materials Data on VAg3HgO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653023.

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                    The Materials Project. Materials Data on VAg3HgO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653023

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                    The Materials Project. 2020.  
"Materials Data on VAg3HgO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653023.  https://www.osti.gov/servlets/purl/1653023. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1653023,

  title        = {Materials Data on VAg3HgO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {VAg3HgO4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V3+ is bonded in a tetrahedral geometry to four O2- atoms. All V–O bond lengths are 1.76 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.47 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.39–2.43 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–2.49 Å. Hg2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.42–2.53 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one V3+, two Ag1+, and one Hg2+ atom to form distorted corner-sharing OVAg2Hg tetrahedra. In the second O2- site, O2- is bonded to one V3+, two Ag1+, and one Hg2+ atom to form distorted corner-sharing OVAg2Hg tetrahedra. In the third O2- site, O2- is bonded to one V3+, two Ag1+, and one Hg2+ atom to form distorted corner-sharing OVAg2Hg tetrahedra. In the fourth O2- site, O2- is bonded to one V3+ and three Ag1+ atoms to form distorted corner-sharing OVAg3 tetrahedra.},

  doi          = {10.17188/1653023},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1653023

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