Materials Data on Li2AgF6 by Materials Project

doi:10.17188/1296025

Title: Materials Data on Li2AgF6 by Materials Project

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Abstract

Li2AgF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Li is bonded to six F atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Li–F bond distances ranging from 2.01–2.08 Å. Ag is bonded to six F atoms to form AgF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are four shorter (2.01 Å) and two longer (2.06 Å) Ag–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two equivalent Li and one Ag atom. In the second F site, F is bonded in a trigonal planar geometry to two equivalent Li and one Ag atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-765413

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; Li2AgF6; Ag-F-Li

OSTI Identifier:: 1296025

DOI:: https://doi.org/10.17188/1296025

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                    The Materials Project. Materials Data on Li2AgF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1296025.

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                    The Materials Project. Materials Data on Li2AgF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1296025

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                    The Materials Project. 2020.  
"Materials Data on Li2AgF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1296025.  https://www.osti.gov/servlets/purl/1296025. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1296025,

  title        = {Materials Data on Li2AgF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2AgF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Li is bonded to six F atoms to form LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Li–F bond distances ranging from 2.01–2.08 Å. Ag is bonded to six F atoms to form AgF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°. There are four shorter (2.01 Å) and two longer (2.06 Å) Ag–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two equivalent Li and one Ag atom. In the second F site, F is bonded in a trigonal planar geometry to two equivalent Li and one Ag atom.},

  doi          = {10.17188/1296025},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1296025

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