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Title: Materials Data on Li2AgF5 by Materials Project

Abstract

Li2AgF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form a mixture of distorted edge and corner-sharing LiF4 trigonal pyramids. There are a spread of Li–F bond distances ranging from 1.84–2.01 Å. In the second Li1+ site, Li1+ is bonded to five F1- atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent LiF5 trigonal bipyramids, corners with two equivalent LiF4 trigonal pyramids, and an edgeedge with one LiF4 trigonal pyramid. There are a spread of Li–F bond distances ranging from 1.89–2.37 Å. Ag3+ is bonded in a square co-planar geometry to four F1- atoms. There is three shorter (1.97 Å) and one longer (1.98 Å) Ag–F bond length. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two Li1+ and one Ag3+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Ag3+ atom. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to three Li1+ atoms. In the fourthmore » F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one Ag3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two Li1+ and one Ag3+ atom.« less

Publication Date:
Other Number(s):
mp-753316
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:
1288975
DOI:
https://doi.org/10.17188/1288975

Citation Formats

The Materials Project. Materials Data on Li2AgF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288975.
The Materials Project. Materials Data on Li2AgF5 by Materials Project. United States. doi:https://doi.org/10.17188/1288975
The Materials Project. 2020. "Materials Data on Li2AgF5 by Materials Project". United States. doi:https://doi.org/10.17188/1288975. https://www.osti.gov/servlets/purl/1288975. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1288975,
title = {Materials Data on Li2AgF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2AgF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form a mixture of distorted edge and corner-sharing LiF4 trigonal pyramids. There are a spread of Li–F bond distances ranging from 1.84–2.01 Å. In the second Li1+ site, Li1+ is bonded to five F1- atoms to form distorted LiF5 trigonal bipyramids that share corners with two equivalent LiF5 trigonal bipyramids, corners with two equivalent LiF4 trigonal pyramids, and an edgeedge with one LiF4 trigonal pyramid. There are a spread of Li–F bond distances ranging from 1.89–2.37 Å. Ag3+ is bonded in a square co-planar geometry to four F1- atoms. There is three shorter (1.97 Å) and one longer (1.98 Å) Ag–F bond length. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two Li1+ and one Ag3+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Ag3+ atom. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to three Li1+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one Ag3+ atom. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to two Li1+ and one Ag3+ atom.},
doi = {10.17188/1288975},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}