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Title: Materials Data on LiAgF2 by Materials Project

Abstract

LiAgF2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent LiF4 tetrahedra, corners with five equivalent AgF5 trigonal bipyramids, and an edgeedge with one AgF5 trigonal bipyramid. There is one shorter (1.88 Å) and three longer (1.90 Å) Li–F bond length. Ag1+ is bonded to five F1- atoms to form distorted AgF5 trigonal bipyramids that share corners with five equivalent LiF4 tetrahedra, corners with four equivalent AgF5 trigonal bipyramids, an edgeedge with one LiF4 tetrahedra, and edges with four equivalent AgF5 trigonal bipyramids. There are a spread of Ag–F bond distances ranging from 2.33–2.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one Ag1+ atom to form distorted FLi3Ag tetrahedra that share corners with six equivalent FLi3Ag tetrahedra, corners with five equivalent FLiAg4 trigonal bipyramids, and an edgeedge with one FLiAg4 trigonal bipyramid. In the second F1- site, F1- is bonded to one Li1+ and four equivalent Ag1+ atoms to form distorted FLiAg4 trigonal bipyramids that share corners with five equivalent FLi3Ag tetrahedra, corners with four equivalent FLiAg4 trigonalmore » bipyramids, an edgeedge with one FLi3Ag tetrahedra, and edges with four equivalent FLiAg4 trigonal bipyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-753277
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:
1288963
DOI:
https://doi.org/10.17188/1288963

Citation Formats

The Materials Project. Materials Data on LiAgF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288963.
The Materials Project. Materials Data on LiAgF2 by Materials Project. United States. doi:https://doi.org/10.17188/1288963
The Materials Project. 2020. "Materials Data on LiAgF2 by Materials Project". United States. doi:https://doi.org/10.17188/1288963. https://www.osti.gov/servlets/purl/1288963. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1288963,
title = {Materials Data on LiAgF2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAgF2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent LiF4 tetrahedra, corners with five equivalent AgF5 trigonal bipyramids, and an edgeedge with one AgF5 trigonal bipyramid. There is one shorter (1.88 Å) and three longer (1.90 Å) Li–F bond length. Ag1+ is bonded to five F1- atoms to form distorted AgF5 trigonal bipyramids that share corners with five equivalent LiF4 tetrahedra, corners with four equivalent AgF5 trigonal bipyramids, an edgeedge with one LiF4 tetrahedra, and edges with four equivalent AgF5 trigonal bipyramids. There are a spread of Ag–F bond distances ranging from 2.33–2.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one Ag1+ atom to form distorted FLi3Ag tetrahedra that share corners with six equivalent FLi3Ag tetrahedra, corners with five equivalent FLiAg4 trigonal bipyramids, and an edgeedge with one FLiAg4 trigonal bipyramid. In the second F1- site, F1- is bonded to one Li1+ and four equivalent Ag1+ atoms to form distorted FLiAg4 trigonal bipyramids that share corners with five equivalent FLi3Ag tetrahedra, corners with four equivalent FLiAg4 trigonal bipyramids, an edgeedge with one FLi3Ag tetrahedra, and edges with four equivalent FLiAg4 trigonal bipyramids.},
doi = {10.17188/1288963},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}