Materials Data on Ag3RuO4 by Materials Project

doi:10.17188/1262957

Title: Materials Data on Ag3RuO4 by Materials Project

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Abstract

RuAg3O4 is Orthorhombic Perovskite-like structured and crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Ru5+ is bonded to six O2- atoms to form edge-sharing RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 1.96–2.02 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.16 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.35 Å) and two longer (2.49 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.71 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ru5+ and two equivalent Ag1+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ru5+ and four Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-510453

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; Ag3RuO4; Ag-O-Ru

OSTI Identifier:: 1262957

DOI:: https://doi.org/10.17188/1262957

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                    The Materials Project. Materials Data on Ag3RuO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262957.

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                    The Materials Project. Materials Data on Ag3RuO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262957

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                    The Materials Project. 2020.  
"Materials Data on Ag3RuO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262957.  https://www.osti.gov/servlets/purl/1262957. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1262957,

  title        = {Materials Data on Ag3RuO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RuAg3O4 is Orthorhombic Perovskite-like structured and crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Ru5+ is bonded to six O2- atoms to form edge-sharing RuO6 octahedra. There are a spread of Ru–O bond distances ranging from 1.96–2.02 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.16 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.35 Å) and two longer (2.49 Å) Ag–O bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.71 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ru5+ and two equivalent Ag1+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Ru5+ and four Ag1+ atoms.},

  doi          = {10.17188/1262957},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262957

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