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Title: Materials Data on LiAgF4 by Materials Project

Abstract

LiAgF4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.95–2.59 Å. Ag3+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–49°. There are a spread of Ag–F bond distances ranging from 2.05–2.14 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Ag3+ atoms. 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 two equivalent Li1+ and one Ag3+ atom. 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-765191
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:
1295796
DOI:
10.17188/1295796

Citation Formats

The Materials Project. Materials Data on LiAgF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1295796.
The Materials Project. Materials Data on LiAgF4 by Materials Project. United States. doi:10.17188/1295796.
The Materials Project. 2020. "Materials Data on LiAgF4 by Materials Project". United States. doi:10.17188/1295796. https://www.osti.gov/servlets/purl/1295796. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1295796,
title = {Materials Data on LiAgF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAgF4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.95–2.59 Å. Ag3+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–49°. There are a spread of Ag–F bond distances ranging from 2.05–2.14 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Ag3+ atoms. 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 two equivalent Li1+ and one Ag3+ atom. In the fourth F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Ag3+ atom.},
doi = {10.17188/1295796},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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