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}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.