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Title: Materials Data on Li2AgF3 by Materials Project

Abstract

Li2AgF3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.05 Å) and three longer (2.08 Å) Li–F bond lengths. Ag1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Ag–F bond lengths are 2.52 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and three equivalent Ag1+ atoms to form a mixture of distorted corner and edge-sharing FLi3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second F1- site, F1- is bonded to six equivalent Li1+ atoms to form a mixture of corner and edge-sharing FLi6 octahedra. The corner-sharing octahedral tilt angles are 1°.

Authors:
Publication Date:
Other Number(s):
mp-754466
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; Li2AgF3; Ag-F-Li
OSTI Identifier:
1289435
DOI:
https://doi.org/10.17188/1289435

Citation Formats

The Materials Project. Materials Data on Li2AgF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289435.
The Materials Project. Materials Data on Li2AgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1289435
The Materials Project. 2020. "Materials Data on Li2AgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1289435. https://www.osti.gov/servlets/purl/1289435. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1289435,
title = {Materials Data on Li2AgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2AgF3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.05 Å) and three longer (2.08 Å) Li–F bond lengths. Ag1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Ag–F bond lengths are 2.52 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and three equivalent Ag1+ atoms to form a mixture of distorted corner and edge-sharing FLi3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second F1- site, F1- is bonded to six equivalent Li1+ atoms to form a mixture of corner and edge-sharing FLi6 octahedra. The corner-sharing octahedral tilt angles are 1°.},
doi = {10.17188/1289435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}