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Title: Materials Data on LiAgF3 by Materials Project

Abstract

LiAgF3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. There are four shorter (2.04 Å) and two longer (2.26 Å) Li–F bond lengths. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a distorted square co-planar geometry to four F1- atoms. All Ag–F bond lengths are 2.19 Å. In the second Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four F1- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Ag–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Ag2+ atoms to form a mixture of edge and corner-sharing FLi2Ag2 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom. In the fourth F1- site, F1- is bonded to twomore » equivalent Li1+ and two equivalent Ag2+ atoms to form a mixture of edge and corner-sharing FLi2Ag2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-752699
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; LiAgF3; Ag-F-Li
OSTI Identifier:
1288778
DOI:
https://doi.org/10.17188/1288778

Citation Formats

The Materials Project. Materials Data on LiAgF3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1288778.
The Materials Project. Materials Data on LiAgF3 by Materials Project. United States. doi:https://doi.org/10.17188/1288778
The Materials Project. 2017. "Materials Data on LiAgF3 by Materials Project". United States. doi:https://doi.org/10.17188/1288778. https://www.osti.gov/servlets/purl/1288778. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1288778,
title = {Materials Data on LiAgF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAgF3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. There are four shorter (2.04 Å) and two longer (2.26 Å) Li–F bond lengths. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a distorted square co-planar geometry to four F1- atoms. All Ag–F bond lengths are 2.19 Å. In the second Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four F1- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Ag–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Ag2+ atoms to form a mixture of edge and corner-sharing FLi2Ag2 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ag2+ atom. In the fourth F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Ag2+ atoms to form a mixture of edge and corner-sharing FLi2Ag2 tetrahedra.},
doi = {10.17188/1288778},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}