Materials Data on Li2AgF5 by Materials Project

doi:10.17188/1290993

Title: Materials Data on Li2AgF5 by Materials Project

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Abstract

Li2AgF5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.86–2.45 Å. Ag3+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Ag–F bond distances ranging from 1.97–2.42 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one Ag3+ atom to form a mixture of distorted edge and corner-sharing FLi3Ag trigonal pyramids. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ag3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Li1+ and two equivalent Ag3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-758134

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; Li2AgF5; Ag-F-Li

OSTI Identifier:: 1290993

DOI:: https://doi.org/10.17188/1290993

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                    The Materials Project. Materials Data on Li2AgF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290993.

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                    The Materials Project. Materials Data on Li2AgF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290993

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                    The Materials Project. 2020.  
"Materials Data on Li2AgF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290993.  https://www.osti.gov/servlets/purl/1290993. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1290993,

  title        = {Materials Data on Li2AgF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2AgF5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.86–2.45 Å. Ag3+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Ag–F bond distances ranging from 1.97–2.42 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one Ag3+ atom to form a mixture of distorted edge and corner-sharing FLi3Ag trigonal pyramids. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ag3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Li1+ and two equivalent Ag3+ atoms.},

  doi          = {10.17188/1290993},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290993

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