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Title: Materials Data on Li2AgF5 by Materials Project

Abstract

Li2AgF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three F1- atoms. There are a spread of Li–F bond distances ranging from 1.79–1.93 Å. In the second Li1+ site, Li1+ is bonded in a see-saw-like geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.81–2.04 Å. Ag3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 1.97–1.99 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Ag3+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Li1+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Ag3+ atom. In the fourth F1- site, F1- is bonded in a distorted water-like geometry to one Li1+ and one Ag3+ atom. In the fifth F1- site, F1- is bonded in a trigonal planar geometrymore » to two Li1+ and one Ag3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-758554
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; Li2AgF5; Ag-F-Li
OSTI Identifier:
1291105
DOI:
10.17188/1291105

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2AgF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291105.
Persson, Kristin, & Project, Materials. Materials Data on Li2AgF5 by Materials Project. United States. doi:10.17188/1291105.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2AgF5 by Materials Project". United States. doi:10.17188/1291105. https://www.osti.gov/servlets/purl/1291105. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1291105,
title = {Materials Data on Li2AgF5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2AgF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three F1- atoms. There are a spread of Li–F bond distances ranging from 1.79–1.93 Å. In the second Li1+ site, Li1+ is bonded in a see-saw-like geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.81–2.04 Å. Ag3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 1.97–1.99 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Ag3+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Li1+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one Ag3+ atom. In the fourth F1- site, F1- is bonded in a distorted water-like geometry to one Li1+ and one Ag3+ atom. In the fifth F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one Ag3+ atom.},
doi = {10.17188/1291105},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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