Materials Data on LiAgF2 by Materials Project

doi:10.17188/1289123

Title: Materials Data on LiAgF2 by Materials Project

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Abstract

LiAgF2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form distorted LiF6 octahedra that share corners with two equivalent AgF6 octahedra, corners with four equivalent LiF6 octahedra, edges with four equivalent LiF6 octahedra, and edges with eight equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (1.93 Å) and four longer (2.39 Å) Li–F bond lengths. Ag1+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with two equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, edges with four equivalent AgF6 octahedra, and edges with eight equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are four shorter (2.39 Å) and two longer (2.66 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Ag1+ atoms. There are one shorter (1.93 Å) and two longer (2.39 Å) F–Li bond lengths.

Publication Date:: 2020-05-02

Other Number(s):: mp-753751

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-F-Li; LiAgF2; crystal structure

OSTI Identifier:: 1289123

DOI:: https://doi.org/10.17188/1289123

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                    Materials Data on LiAgF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289123.

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                    Materials Data on LiAgF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289123

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                    2020.  
"Materials Data on LiAgF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289123.  https://www.osti.gov/servlets/purl/1289123. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1289123,

  title        = {Materials Data on LiAgF2 by Materials Project},

  
  abstractNote = {LiAgF2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form distorted LiF6 octahedra that share corners with two equivalent AgF6 octahedra, corners with four equivalent LiF6 octahedra, edges with four equivalent LiF6 octahedra, and edges with eight equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (1.93 Å) and four longer (2.39 Å) Li–F bond lengths. Ag1+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with two equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, edges with four equivalent AgF6 octahedra, and edges with eight equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are four shorter (2.39 Å) and two longer (2.66 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Ag1+ atoms. There are one shorter (1.93 Å) and two longer (2.39 Å) F–Li bond lengths.},

  doi          = {10.17188/1289123},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289123

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