Materials Data on LiAgO2 by Materials Project

doi:10.17188/1317114

Title: Materials Data on LiAgO2 by Materials Project

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Abstract

LiAgO2 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.05 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.03 Å. O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Ag2 tetrahedra.

Publication Date:: 2020-05-02

Other Number(s):: mp-996997

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ag-Li-O; LiAgO2; crystal structure

OSTI Identifier:: 1317114

DOI:: https://doi.org/10.17188/1317114

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                    Materials Data on LiAgO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317114.

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                    Materials Data on LiAgO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317114

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                    2020.  
"Materials Data on LiAgO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317114.  https://www.osti.gov/servlets/purl/1317114. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1317114,

  title        = {Materials Data on LiAgO2 by Materials Project},

  
  abstractNote = {LiAgO2 crystallizes in the orthorhombic Pmna space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.05 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.03 Å. O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of distorted edge and corner-sharing OLi2Ag2 tetrahedra.},

  doi          = {10.17188/1317114},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1317114

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Materials Data on LiAgO2 by Materials Project

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LiAgO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.07 Å. Ag3+ is bonded to six equivalent O2- atoms to form edge-sharing AgO6 octahedra. All Ag–O bond lengths are 2.50 Å. O2- is bonded in a 7-coordinate geometry to three equivalent Li1+, three equivalent Ag3+, and one O2- atom. The O–O bond length is 1.59 Å.
Materials Data on LiAgO2 by Materials Project

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LiAgO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.06 Å) Li–O bond lengths. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of edge and corner-sharing OLi2Ag2 tetrahedra.
Materials Data on LiAgO2 by Materials Project

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LiAgO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Li1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.05 Å. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. O2- is bonded to two equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of edge and corner-sharing OLi2Ag2 tetrahedra.
Materials Data on LiAgO2 by Materials Project

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LiAgO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent OLi2AgO tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–1.97 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. In the second Ag3+ site, Ag3+ is bonded in a linear geometry tomore »« less
Materials Data on LiAgO2 by Materials Project

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LiAgO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form edge-sharing LiO6 octahedra. There are two shorter (2.10 Å) and four longer (2.27 Å) Li–O bond lengths. Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.05 Å. O2- is bonded to three equivalent Li1+ and two equivalent Ag3+ atoms to form a mixture of distorted edge and corner-sharing OLi3Ag2 trigonal bipyramids.

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