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

Title: Materials Data on YAlCu by Materials Project

Abstract

AlCuY crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.90 Å) and four longer (2.93 Å) Y–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.24 Å) Y–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Y and six equivalent Al atoms. All Cu–Al bond lengths are 2.61 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Al atoms. All Cu–Al bond lengths are 2.75 Å. Al is bonded in a 12-coordinate geometry to six equivalent Y, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.85 Å.

Publication Date:
Other Number(s):
mp-1079361
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; YAlCu; Al-Cu-Y
OSTI Identifier:
1753747
DOI:
https://doi.org/10.17188/1753747

Citation Formats

The Materials Project. Materials Data on YAlCu by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753747.
The Materials Project. Materials Data on YAlCu by Materials Project. United States. doi:https://doi.org/10.17188/1753747
The Materials Project. 2020. "Materials Data on YAlCu by Materials Project". United States. doi:https://doi.org/10.17188/1753747. https://www.osti.gov/servlets/purl/1753747. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1753747,
title = {Materials Data on YAlCu by Materials Project},
author = {The Materials Project},
abstractNote = {AlCuY crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are one shorter (2.90 Å) and four longer (2.93 Å) Y–Cu bond lengths. There are two shorter (3.19 Å) and four longer (3.24 Å) Y–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted q6 geometry to three equivalent Y and six equivalent Al atoms. All Cu–Al bond lengths are 2.61 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Al atoms. All Cu–Al bond lengths are 2.75 Å. Al is bonded in a 12-coordinate geometry to six equivalent Y, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.85 Å.},
doi = {10.17188/1753747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}