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Title: Materials Data on AlAu2 by Materials Project

Abstract

Au2Al crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are five inequivalent Au sites. In the first Au site, Au is bonded in a 4-coordinate geometry to five Al atoms. There are a spread of Au–Al bond distances ranging from 2.75–3.12 Å. In the second Au site, Au is bonded in a 4-coordinate geometry to four Al atoms. There are two shorter (2.70 Å) and two longer (2.74 Å) Au–Al bond lengths. In the third Au site, Au is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Au–Al bond distances ranging from 2.69–2.82 Å. In the fourth Au site, Au is bonded in a 4-coordinate geometry to four Al atoms. All Au–Al bond lengths are 2.73 Å. In the fifth Au site, Au is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Au–Al bond distances ranging from 2.79–2.85 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to ten Au atoms. In the second Al site, Al is bonded in a distorted q6 geometry to nine Au atoms. In the third Al site, Almore » is bonded in a distorted q6 geometry to nine Au atoms.« less

Publication Date:
Other Number(s):
mp-30550
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; AlAu2; Al-Au
OSTI Identifier:
1204945
DOI:
https://doi.org/10.17188/1204945

Citation Formats

The Materials Project. Materials Data on AlAu2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204945.
The Materials Project. Materials Data on AlAu2 by Materials Project. United States. doi:https://doi.org/10.17188/1204945
The Materials Project. 2020. "Materials Data on AlAu2 by Materials Project". United States. doi:https://doi.org/10.17188/1204945. https://www.osti.gov/servlets/purl/1204945. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1204945,
title = {Materials Data on AlAu2 by Materials Project},
author = {The Materials Project},
abstractNote = {Au2Al crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are five inequivalent Au sites. In the first Au site, Au is bonded in a 4-coordinate geometry to five Al atoms. There are a spread of Au–Al bond distances ranging from 2.75–3.12 Å. In the second Au site, Au is bonded in a 4-coordinate geometry to four Al atoms. There are two shorter (2.70 Å) and two longer (2.74 Å) Au–Al bond lengths. In the third Au site, Au is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Au–Al bond distances ranging from 2.69–2.82 Å. In the fourth Au site, Au is bonded in a 4-coordinate geometry to four Al atoms. All Au–Al bond lengths are 2.73 Å. In the fifth Au site, Au is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Au–Al bond distances ranging from 2.79–2.85 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 8-coordinate geometry to ten Au atoms. In the second Al site, Al is bonded in a distorted q6 geometry to nine Au atoms. In the third Al site, Al is bonded in a distorted q6 geometry to nine Au atoms.},
doi = {10.17188/1204945},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}