Materials Data on LiAg2F4 by Materials Project

doi:10.17188/1288954

Title: Materials Data on LiAg2F4 by Materials Project

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Abstract

LiAg2F4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted LiF6 octahedra that share corners with four equivalent LiF6 octahedra and edges with eight equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Li–F bond distances ranging from 1.89–2.67 Å. Ag+1.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent AgF6 octahedra, edges with four equivalent LiF6 octahedra, and edges with four equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 13–14°. There are a spread of Ag–F bond distances ranging from 2.19–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and four equivalent Ag+1.50+ atoms to form a mixture of distorted corner and edge-sharing FLiAg4 square pyramids. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to two equivalent Li1+ and two equivalent Ag+1.50+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-753216

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; LiAg2F4; Ag-F-Li

OSTI Identifier:: 1288954

DOI:: https://doi.org/10.17188/1288954

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                    The Materials Project. Materials Data on LiAg2F4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288954.

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                    The Materials Project. Materials Data on LiAg2F4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288954

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                    The Materials Project. 2020.  
"Materials Data on LiAg2F4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288954.  https://www.osti.gov/servlets/purl/1288954. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1288954,

  title        = {Materials Data on LiAg2F4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiAg2F4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted LiF6 octahedra that share corners with four equivalent LiF6 octahedra and edges with eight equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Li–F bond distances ranging from 1.89–2.67 Å. Ag+1.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent AgF6 octahedra, edges with four equivalent LiF6 octahedra, and edges with four equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 13–14°. There are a spread of Ag–F bond distances ranging from 2.19–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and four equivalent Ag+1.50+ atoms to form a mixture of distorted corner and edge-sharing FLiAg4 square pyramids. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to two equivalent Li1+ and two equivalent Ag+1.50+ atoms.},

  doi          = {10.17188/1288954},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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