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Title: Materials Data on Li2Ag3F6 by Materials Project

Abstract

Li2Ag3F6 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 five F1- atoms to form distorted corner-sharing LiF5 trigonal bipyramids. There are a spread of Li–F bond distances ranging from 1.88–2.01 Å. In the second Li1+ site, Li1+ is bonded to five F1- atoms to form distorted corner-sharing LiF5 trigonal bipyramids. There are a spread of Li–F bond distances ranging from 1.88–2.01 Å. There are three inequivalent Ag+1.33+ sites. In the first Ag+1.33+ site, Ag+1.33+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.16–2.70 Å. In the second Ag+1.33+ site, Ag+1.33+ is bonded in a 1-coordinate geometry to nine F1- atoms. There are a spread of Ag–F bond distances ranging from 2.33–2.89 Å. In the third Ag+1.33+ site, Ag+1.33+ is bonded in a 1-coordinate geometry to nine F1- atoms. There are a spread of Ag–F bond distances ranging from 2.33–2.87 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and four Ag+1.33+ atoms. In themore » second F1- site, F1- is bonded in a 6-coordinate geometry to one Li1+ and five Ag+1.33+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and four Ag+1.33+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and four Ag+1.33+ atoms. In the fifth F1- site, F1- is bonded in a 6-coordinate geometry to one Li1+ and five Ag+1.33+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and four Ag+1.33+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-757872
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; Li2Ag3F6; Ag-F-Li
OSTI Identifier:
1290913
DOI:
https://doi.org/10.17188/1290913

Citation Formats

The Materials Project. Materials Data on Li2Ag3F6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290913.
The Materials Project. Materials Data on Li2Ag3F6 by Materials Project. United States. doi:https://doi.org/10.17188/1290913
The Materials Project. 2020. "Materials Data on Li2Ag3F6 by Materials Project". United States. doi:https://doi.org/10.17188/1290913. https://www.osti.gov/servlets/purl/1290913. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1290913,
title = {Materials Data on Li2Ag3F6 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Ag3F6 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 five F1- atoms to form distorted corner-sharing LiF5 trigonal bipyramids. There are a spread of Li–F bond distances ranging from 1.88–2.01 Å. In the second Li1+ site, Li1+ is bonded to five F1- atoms to form distorted corner-sharing LiF5 trigonal bipyramids. There are a spread of Li–F bond distances ranging from 1.88–2.01 Å. There are three inequivalent Ag+1.33+ sites. In the first Ag+1.33+ site, Ag+1.33+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Ag–F bond distances ranging from 2.16–2.70 Å. In the second Ag+1.33+ site, Ag+1.33+ is bonded in a 1-coordinate geometry to nine F1- atoms. There are a spread of Ag–F bond distances ranging from 2.33–2.89 Å. In the third Ag+1.33+ site, Ag+1.33+ is bonded in a 1-coordinate geometry to nine F1- atoms. There are a spread of Ag–F bond distances ranging from 2.33–2.87 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and four Ag+1.33+ atoms. In the second F1- site, F1- is bonded in a 6-coordinate geometry to one Li1+ and five Ag+1.33+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and four Ag+1.33+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and four Ag+1.33+ atoms. In the fifth F1- site, F1- is bonded in a 6-coordinate geometry to one Li1+ and five Ag+1.33+ atoms. In the sixth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and four Ag+1.33+ atoms.},
doi = {10.17188/1290913},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}