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Title: Materials Data on LiAgF4 by Materials Project

Abstract

LiAgF4 is Calcite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with eight equivalent AgF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Li–F bond distances ranging from 2.02–2.14 Å. Ag3+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Ag–F bond distances ranging from 1.98–2.20 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Ag3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Ag3+ atoms. In the fourth F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag3+ atom.

Publication Date:
Other Number(s):
mp-753209
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; LiAgF4; Ag-F-Li
OSTI Identifier:
1288952
DOI:
https://doi.org/10.17188/1288952

Citation Formats

The Materials Project. Materials Data on LiAgF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288952.
The Materials Project. Materials Data on LiAgF4 by Materials Project. United States. doi:https://doi.org/10.17188/1288952
The Materials Project. 2020. "Materials Data on LiAgF4 by Materials Project". United States. doi:https://doi.org/10.17188/1288952. https://www.osti.gov/servlets/purl/1288952. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1288952,
title = {Materials Data on LiAgF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAgF4 is Calcite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with eight equivalent AgF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Li–F bond distances ranging from 2.02–2.14 Å. Ag3+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of Ag–F bond distances ranging from 1.98–2.20 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Ag3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Ag3+ atoms. In the fourth F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag3+ atom.},
doi = {10.17188/1288952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}