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Title: Materials Data on LiAuF4 by Materials Project

Abstract

LiAuF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted edge-sharing LiF6 octahedra. There are a spread of Li–F bond distances ranging from 2.01–2.24 Å. Au3+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Au–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Au3+ atom.

Publication Date:
Other Number(s):
mp-12263
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; LiAuF4; Au-F-Li
OSTI Identifier:
1188676
DOI:
https://doi.org/10.17188/1188676

Citation Formats

The Materials Project. Materials Data on LiAuF4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1188676.
The Materials Project. Materials Data on LiAuF4 by Materials Project. United States. doi:https://doi.org/10.17188/1188676
The Materials Project. 2017. "Materials Data on LiAuF4 by Materials Project". United States. doi:https://doi.org/10.17188/1188676. https://www.osti.gov/servlets/purl/1188676. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1188676,
title = {Materials Data on LiAuF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAuF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted edge-sharing LiF6 octahedra. There are a spread of Li–F bond distances ranging from 2.01–2.24 Å. Au3+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Au–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Au3+ atom.},
doi = {10.17188/1188676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}