Materials Data on LiAuF4 by Materials Project

Dataset · Thu May 11 00:00:00 EDT 2017

DOI:https://doi.org/10.17188/1188676· OSTI ID:1188676

The Materials Project

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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1188676
• Report Number(s): mp-12263
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
LiAuF4
Au-F-Li