U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiAuF4 by Materials Project
Abstract
LiAuF4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, 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 2.00–2.25 Å. In the second Li1+ site, 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 2.00–2.20 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.97 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.97 Å. There are four 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 bent 120 degrees geometry to one Li1+ and one Au3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two Li1+ and one Au3+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-554442
- 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; LiAuF4; Au-F-Li
- OSTI Identifier:
- 1267903
- DOI:
- https://doi.org/10.17188/1267903
Citation Formats
The Materials Project. Materials Data on LiAuF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267903.
The Materials Project. Materials Data on LiAuF4 by Materials Project. United States. doi:https://doi.org/10.17188/1267903
The Materials Project. 2020.
"Materials Data on LiAuF4 by Materials Project". United States. doi:https://doi.org/10.17188/1267903. https://www.osti.gov/servlets/purl/1267903. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1267903,
title = {Materials Data on LiAuF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAuF4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, 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 2.00–2.25 Å. In the second Li1+ site, 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 2.00–2.20 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.97 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.97 Å. There are four 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 bent 120 degrees geometry to one Li1+ and one Au3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two Li1+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to two Li1+ and one Au3+ atom.},
doi = {10.17188/1267903},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}