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Title: Materials Data on LiAuI4 by Materials Project

Abstract

LiAuI4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiAuI4 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded to six I1- atoms to form edge-sharing LiI6 octahedra. There are a spread of Li–I bond distances ranging from 3.01–3.07 Å. Au3+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.68 Å) and two longer (2.70 Å) Au–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to one Li1+ and one Au3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Au3+ atom.

Publication Date:
Other Number(s):
mp-29520
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; LiAuI4; Au-I-Li
OSTI Identifier:
1203988
DOI:
https://doi.org/10.17188/1203988

Citation Formats

The Materials Project. Materials Data on LiAuI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203988.
The Materials Project. Materials Data on LiAuI4 by Materials Project. United States. doi:https://doi.org/10.17188/1203988
The Materials Project. 2020. "Materials Data on LiAuI4 by Materials Project". United States. doi:https://doi.org/10.17188/1203988. https://www.osti.gov/servlets/purl/1203988. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1203988,
title = {Materials Data on LiAuI4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAuI4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiAuI4 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded to six I1- atoms to form edge-sharing LiI6 octahedra. There are a spread of Li–I bond distances ranging from 3.01–3.07 Å. Au3+ is bonded in a square co-planar geometry to four I1- atoms. There are two shorter (2.68 Å) and two longer (2.70 Å) Au–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted L-shaped geometry to one Li1+ and one Au3+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Au3+ atom.},
doi = {10.17188/1203988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}