Materials Data on LiAgF3 by Materials Project

doi:10.17188/1288707

Title: Materials Data on LiAgF3 by Materials Project

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Abstract

LiAgF3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with seven AgF6 octahedra and corners with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–69°. There are a spread of Li–F bond distances ranging from 1.89–1.98 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with eight equivalent LiF4 tetrahedra and edges with three equivalent AgF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.16–2.65 Å. In the second Ag2+ site, Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with five AgF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.04–2.70 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+ and two Ag2+ atoms. In the third F1-more »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-752605

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; LiAgF3; Ag-F-Li

OSTI Identifier:: 1288707

DOI:: https://doi.org/10.17188/1288707

Citation Formats


                    The Materials Project. Materials Data on LiAgF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288707.

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                    The Materials Project. Materials Data on LiAgF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288707

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                    The Materials Project. 2020.  
"Materials Data on LiAgF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288707.  https://www.osti.gov/servlets/purl/1288707. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1288707,

  title        = {Materials Data on LiAgF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiAgF3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with seven AgF6 octahedra and corners with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–69°. There are a spread of Li–F bond distances ranging from 1.89–1.98 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with eight equivalent LiF4 tetrahedra and edges with three equivalent AgF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.16–2.65 Å. In the second Ag2+ site, Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with five AgF6 octahedra. There are a spread of Ag–F bond distances ranging from 2.04–2.70 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+ and two Ag2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag2+ atoms.},

  doi          = {10.17188/1288707},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1288707

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