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Title: Materials Data on Li2AgF3 by Materials Project

Abstract

Li2AgF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.91–2.72 Å. In the second Li1+ site, Li1+ is bonded to five F1- atoms to form edge-sharing LiF5 square pyramids. There are a spread of Li–F bond distances ranging from 1.94–2.02 Å. Ag1+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 2.17–2.59 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to five Li1+ atoms to form edge-sharing FLi5 square pyramids. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to two equivalent Li1+ and one Ag1+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to three Li1+ and three equivalent Ag1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-760805
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2AgF3; Ag-F-Li
OSTI Identifier:
1291711
DOI:
10.17188/1291711

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2AgF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291711.
Persson, Kristin, & Project, Materials. Materials Data on Li2AgF3 by Materials Project. United States. doi:10.17188/1291711.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2AgF3 by Materials Project". United States. doi:10.17188/1291711. https://www.osti.gov/servlets/purl/1291711. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1291711,
title = {Materials Data on Li2AgF3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2AgF3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.91–2.72 Å. In the second Li1+ site, Li1+ is bonded to five F1- atoms to form edge-sharing LiF5 square pyramids. There are a spread of Li–F bond distances ranging from 1.94–2.02 Å. Ag1+ is bonded in a 1-coordinate geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 2.17–2.59 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to five Li1+ atoms to form edge-sharing FLi5 square pyramids. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to two equivalent Li1+ and one Ag1+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to three Li1+ and three equivalent Ag1+ atoms.},
doi = {10.17188/1291711},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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