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Title: Materials Data on LiAu3 by Materials Project

Abstract

LiAu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to twelve Au+0.33- atoms to form a mixture of corner, edge, and face-sharing LiAu12 cuboctahedra. There are four shorter (2.84 Å) and eight longer (2.91 Å) Li–Au bond lengths. There are two inequivalent Au+0.33- sites. In the first Au+0.33- site, Au+0.33- is bonded to four equivalent Li1+ atoms to form a mixture of distorted corner and edge-sharing AuLi4 cuboctahedra. In the second Au+0.33- site, Au+0.33- is bonded in a square co-planar geometry to four equivalent Li1+ atoms.

Publication Date:
Other Number(s):
mp-975909
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; LiAu3; Au-Li
OSTI Identifier:
1314915
DOI:
10.17188/1314915

Citation Formats

The Materials Project. Materials Data on LiAu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314915.
The Materials Project. Materials Data on LiAu3 by Materials Project. United States. doi:10.17188/1314915.
The Materials Project. 2020. "Materials Data on LiAu3 by Materials Project". United States. doi:10.17188/1314915. https://www.osti.gov/servlets/purl/1314915. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1314915,
title = {Materials Data on LiAu3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiAu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to twelve Au+0.33- atoms to form a mixture of corner, edge, and face-sharing LiAu12 cuboctahedra. There are four shorter (2.84 Å) and eight longer (2.91 Å) Li–Au bond lengths. There are two inequivalent Au+0.33- sites. In the first Au+0.33- site, Au+0.33- is bonded to four equivalent Li1+ atoms to form a mixture of distorted corner and edge-sharing AuLi4 cuboctahedra. In the second Au+0.33- site, Au+0.33- is bonded in a square co-planar geometry to four equivalent Li1+ atoms.},
doi = {10.17188/1314915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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