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Title: Materials Data on LiAgF2 by Materials Project

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.

Authors:
Publication Date:
Other Number(s):
mp-753751
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; LiAgF2; Ag-F-Li
OSTI Identifier:
1289123
DOI:
https://doi.org/10.17188/1289123

Citation Formats

The Materials Project. Materials Data on LiAgF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289123.
The Materials Project. Materials Data on LiAgF2 by Materials Project. United States. doi:https://doi.org/10.17188/1289123
The Materials Project. 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
@article{osti_1289123,
title = {Materials Data on LiAgF2 by Materials Project},
author = {The 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}
}