DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LaAu3 by Materials Project

Abstract

LaAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.10 Å) and six longer (3.58 Å) La–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent La3+ and four equivalent Au1- atoms to form a mixture of distorted corner, edge, and face-sharing AuLa4Au4 tetrahedra. All Au–Au bond lengths are 3.10 Å. In the second Au1- site, Au1- is bonded in a 6-coordinate geometry to six equivalent La3+ and eight equivalent Au1- atoms.

Authors:
Publication Date:
Other Number(s):
mp-976113
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; LaAu3; Au-La
OSTI Identifier:
1314974
DOI:
https://doi.org/10.17188/1314974

Citation Formats

The Materials Project. Materials Data on LaAu3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314974.
The Materials Project. Materials Data on LaAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1314974
The Materials Project. 2020. "Materials Data on LaAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1314974. https://www.osti.gov/servlets/purl/1314974. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314974,
title = {Materials Data on LaAu3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.10 Å) and six longer (3.58 Å) La–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent La3+ and four equivalent Au1- atoms to form a mixture of distorted corner, edge, and face-sharing AuLa4Au4 tetrahedra. All Au–Au bond lengths are 3.10 Å. In the second Au1- site, Au1- is bonded in a 6-coordinate geometry to six equivalent La3+ and eight equivalent Au1- atoms.},
doi = {10.17188/1314974},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}