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Title: Materials Data on Y(Mg4Al3)4 by Materials Project

Abstract

Y(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.86–3.17 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Y, and six equivalent Al atoms. The Mg–Y bond length is 3.27 Å. All Mg–Al bond lengths are 3.16 Å. Y is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Y–Al bond lengths are 3.22 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Y, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.78 Å) Al–Al bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-971834
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; Y(Mg4Al3)4; Al-Mg-Y
OSTI Identifier:
1313646
DOI:
https://doi.org/10.17188/1313646

Citation Formats

The Materials Project. Materials Data on Y(Mg4Al3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313646.
The Materials Project. Materials Data on Y(Mg4Al3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1313646
The Materials Project. 2020. "Materials Data on Y(Mg4Al3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1313646. https://www.osti.gov/servlets/purl/1313646. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1313646,
title = {Materials Data on Y(Mg4Al3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(Mg4Al3)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to seven Mg and five equivalent Al atoms. There are a spread of Mg–Mg bond distances ranging from 3.02–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.86–3.17 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Y, and six equivalent Al atoms. The Mg–Y bond length is 3.27 Å. All Mg–Al bond lengths are 3.16 Å. Y is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Y–Al bond lengths are 3.22 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Y, and three equivalent Al atoms. There are one shorter (2.70 Å) and two longer (2.78 Å) Al–Al bond lengths.},
doi = {10.17188/1313646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}