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

Abstract

Er(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 3.03–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.87–3.18 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Er, and six equivalent Al atoms. The Mg–Er bond length is 3.26 Å. All Mg–Al bond lengths are 3.16 Å. Er is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Er–Al bond lengths are 3.22 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Er, and three equivalent Al atoms. There are one shorter (2.71 Å) and two longer (2.77 Å) Al–Al bond lengths.

Publication Date:
Other Number(s):
mp-1184190
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; Er(Mg4Al3)4; Al-Er-Mg
OSTI Identifier:
1746884
DOI:
https://doi.org/10.17188/1746884

Citation Formats

The Materials Project. Materials Data on Er(Mg4Al3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746884.
The Materials Project. Materials Data on Er(Mg4Al3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1746884
The Materials Project. 2020. "Materials Data on Er(Mg4Al3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1746884. https://www.osti.gov/servlets/purl/1746884. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746884,
title = {Materials Data on Er(Mg4Al3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er(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 3.03–3.16 Å. There are a spread of Mg–Al bond distances ranging from 2.87–3.18 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to three equivalent Mg, one Er, and six equivalent Al atoms. The Mg–Er bond length is 3.26 Å. All Mg–Al bond lengths are 3.16 Å. Er is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Er–Al bond lengths are 3.22 Å. Al is bonded in a 11-coordinate geometry to seven Mg, one Er, and three equivalent Al atoms. There are one shorter (2.71 Å) and two longer (2.77 Å) Al–Al bond lengths.},
doi = {10.17188/1746884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}