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Title: Materials Data on LiAg2F4 by Materials Project

Abstract

LiAg2F4 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.91 Å) and two longer (1.98 Å) Li–F bond length. In the second Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.92 Å) and two longer (1.98 Å) Li–F bond length. In the third Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.92 Å) and two longer (1.97 Å) Li–F bond length. In the fourth Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.91 Å) and two longer (1.98 Å) Li–F bond length. There are four inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing AgF6 pentagonal pyramids. There are a spread of Ag–F bond distances ranging from 2.34–2.57 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a 6-coordinate geometry to six F1- atoms. Theremore » are a spread of Ag–F bond distances ranging from 2.16–2.78 Å. In the third Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 pentagonal pyramids. There are a spread of Ag–F bond distances ranging from 2.16–2.74 Å. In the fourth Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing AgF6 pentagonal pyramids. There are a spread of Ag–F bond distances ranging from 2.34–2.61 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-867534
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; LiAg2F4; Ag-F-Li
OSTI Identifier:
1312077
DOI:
https://doi.org/10.17188/1312077

Citation Formats

The Materials Project. Materials Data on LiAg2F4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312077.
The Materials Project. Materials Data on LiAg2F4 by Materials Project. United States. doi:https://doi.org/10.17188/1312077
The Materials Project. 2020. "Materials Data on LiAg2F4 by Materials Project". United States. doi:https://doi.org/10.17188/1312077. https://www.osti.gov/servlets/purl/1312077. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1312077,
title = {Materials Data on LiAg2F4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAg2F4 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.91 Å) and two longer (1.98 Å) Li–F bond length. In the second Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.92 Å) and two longer (1.98 Å) Li–F bond length. In the third Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.92 Å) and two longer (1.97 Å) Li–F bond length. In the fourth Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There is two shorter (1.91 Å) and two longer (1.98 Å) Li–F bond length. There are four inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing AgF6 pentagonal pyramids. There are a spread of Ag–F bond distances ranging from 2.34–2.57 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.16–2.78 Å. In the third Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 pentagonal pyramids. There are a spread of Ag–F bond distances ranging from 2.16–2.74 Å. In the fourth Ag+1.50+ site, Ag+1.50+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing AgF6 pentagonal pyramids. There are a spread of Ag–F bond distances ranging from 2.34–2.61 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+1.50+ atoms.},
doi = {10.17188/1312077},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}