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Title: Materials Data on Y3Al2 by Materials Project

Abstract

Y3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Y–Al bond lengths are 3.32 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are four shorter (3.11 Å) and two longer (3.13 Å) Y–Al bond lengths. In the third Y site, Y is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.07 Å) and four longer (3.23 Å) Y–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Y and two equivalent Al atoms. There are one shorter (2.77 Å) and one longer (3.02 Å) Al–Al bond lengths.

Publication Date:
Other Number(s):
mp-16723
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; Y3Al2; Al-Y
OSTI Identifier:
1192121
DOI:
https://doi.org/10.17188/1192121

Citation Formats

The Materials Project. Materials Data on Y3Al2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192121.
The Materials Project. Materials Data on Y3Al2 by Materials Project. United States. doi:https://doi.org/10.17188/1192121
The Materials Project. 2020. "Materials Data on Y3Al2 by Materials Project". United States. doi:https://doi.org/10.17188/1192121. https://www.osti.gov/servlets/purl/1192121. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1192121,
title = {Materials Data on Y3Al2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Y–Al bond lengths are 3.32 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are four shorter (3.11 Å) and two longer (3.13 Å) Y–Al bond lengths. In the third Y site, Y is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.07 Å) and four longer (3.23 Å) Y–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Y and two equivalent Al atoms. There are one shorter (2.77 Å) and one longer (3.02 Å) Al–Al bond lengths.},
doi = {10.17188/1192121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}