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Title: Materials Data on LiAg2F4 by Materials Project

Abstract

LiAg2F4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted LiF6 octahedra that share corners with four equivalent LiF6 octahedra and edges with eight equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Li–F bond distances ranging from 1.89–2.67 Å. Ag+1.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent AgF6 octahedra, edges with four equivalent LiF6 octahedra, and edges with four equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 13–14°. There are a spread of Ag–F bond distances ranging from 2.19–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and four equivalent Ag+1.50+ atoms to form a mixture of distorted corner and edge-sharing FLiAg4 square pyramids. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to two equivalent Li1+ and two equivalent Ag+1.50+ atoms.

Publication Date:
Other Number(s):
mp-753216
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; LiAg2F4; Ag-F-Li
OSTI Identifier:
1288954
DOI:
https://doi.org/10.17188/1288954

Citation Formats

The Materials Project. Materials Data on LiAg2F4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288954.
The Materials Project. Materials Data on LiAg2F4 by Materials Project. United States. doi:https://doi.org/10.17188/1288954
The Materials Project. 2020. "Materials Data on LiAg2F4 by Materials Project". United States. doi:https://doi.org/10.17188/1288954. https://www.osti.gov/servlets/purl/1288954. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288954,
title = {Materials Data on LiAg2F4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAg2F4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted LiF6 octahedra that share corners with four equivalent LiF6 octahedra and edges with eight equivalent AgF6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Li–F bond distances ranging from 1.89–2.67 Å. Ag+1.50+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent AgF6 octahedra, edges with four equivalent LiF6 octahedra, and edges with four equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 13–14°. There are a spread of Ag–F bond distances ranging from 2.19–2.46 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and four equivalent Ag+1.50+ atoms to form a mixture of distorted corner and edge-sharing FLiAg4 square pyramids. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to two equivalent Li1+ and two equivalent Ag+1.50+ atoms.},
doi = {10.17188/1288954},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}