Materials Data on AgAuO3 by Materials Project

doi:10.17188/1288730

Title: Materials Data on AgAuO3 by Materials Project

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Abstract

AuAgO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Au5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.26 Å) Au–O bond lengths. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (2.73 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.16–2.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Au5+ and one O2- atom. The O–O bond length is 1.36 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Au5+ and three Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-05-10

Other Number(s):: mp-752678

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; AgAuO3; Ag-Au-O

OSTI Identifier:: 1288730

DOI:: https://doi.org/10.17188/1288730

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                    The Materials Project. Materials Data on AgAuO3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1288730.

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                    The Materials Project. Materials Data on AgAuO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288730

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                    The Materials Project. 2017.  
"Materials Data on AgAuO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288730.  https://www.osti.gov/servlets/purl/1288730. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1288730,

  title        = {Materials Data on AgAuO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuAgO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Au5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.26 Å) Au–O bond lengths. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (2.73 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.16–2.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Au5+ and one O2- atom. The O–O bond length is 1.36 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Au5+ and three Ag1+ atoms.},

  doi          = {10.17188/1288730},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1288730

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