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Title: Materials Data on Y(Al2Cu)4 by Materials Project

Abstract

Al8Cu4Y crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Y–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.21 Å) Y–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.57 Å. There are four shorter (2.56 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Y, four equivalent Cu, and five Al atoms. There are one shorter (2.67 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.73 Å.

Publication Date:
Other Number(s):
mp-11029
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; Y(Al2Cu)4; Al-Cu-Y
OSTI Identifier:
1187535
DOI:
https://doi.org/10.17188/1187535

Citation Formats

The Materials Project. Materials Data on Y(Al2Cu)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187535.
The Materials Project. Materials Data on Y(Al2Cu)4 by Materials Project. United States. doi:https://doi.org/10.17188/1187535
The Materials Project. 2020. "Materials Data on Y(Al2Cu)4 by Materials Project". United States. doi:https://doi.org/10.17188/1187535. https://www.osti.gov/servlets/purl/1187535. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187535,
title = {Materials Data on Y(Al2Cu)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Al8Cu4Y crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eight equivalent Cu and twelve Al atoms. All Y–Cu bond lengths are 3.37 Å. There are four shorter (3.06 Å) and eight longer (3.21 Å) Y–Al bond lengths. Cu is bonded in a 12-coordinate geometry to two equivalent Y, two equivalent Cu, and eight Al atoms. Both Cu–Cu bond lengths are 2.57 Å. There are four shorter (2.56 Å) and four longer (2.69 Å) Cu–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Y, four equivalent Cu, and five Al atoms. There are one shorter (2.67 Å) and four longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Cu, and six Al atoms. Both Al–Al bond lengths are 2.73 Å.},
doi = {10.17188/1187535},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}