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Title: Materials Data on Mg3(Al9Mo)2 by Materials Project

Abstract

Mg3(MoAl9)2 crystallizes in the cubic Fd-3m 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 two equivalent Mg and twelve equivalent Al atoms. Both Mg–Mg bond lengths are 3.18 Å. All Mg–Al bond lengths are 3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Mg–Al bond lengths are 3.23 Å. Mo is bonded to twelve Al atoms to form MoAl12 cuboctahedra that share corners with six equivalent MoAl12 cuboctahedra, edges with eighteen equivalent AlMg3Al8Mo cuboctahedra, and faces with six equivalent AlMg3Al8Mo cuboctahedra. There are six shorter (2.61 Å) and six longer (2.86 Å) Mo–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Mg, one Mo, and eight Al atoms to form distorted AlMg3Al8Mo cuboctahedra that share corners with fifteen equivalent AlMg3Al8Mo cuboctahedra, edges with two equivalent AlMg3Al8Mo cuboctahedra, edges with three equivalent MoAl12 cuboctahedra, a faceface with one MoAl12 cuboctahedra, and faces with fifteen equivalent AlMg3Al8Mo cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.73–2.98 Å.more » In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Mo and six equivalent Al atoms.« less

Publication Date:
Other Number(s):
mp-1201475
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; Mg3(Al9Mo)2; Al-Mg-Mo
OSTI Identifier:
1685837
DOI:
https://doi.org/10.17188/1685837

Citation Formats

The Materials Project. Materials Data on Mg3(Al9Mo)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685837.
The Materials Project. Materials Data on Mg3(Al9Mo)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685837
The Materials Project. 2020. "Materials Data on Mg3(Al9Mo)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685837. https://www.osti.gov/servlets/purl/1685837. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685837,
title = {Materials Data on Mg3(Al9Mo)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3(MoAl9)2 crystallizes in the cubic Fd-3m 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 two equivalent Mg and twelve equivalent Al atoms. Both Mg–Mg bond lengths are 3.18 Å. All Mg–Al bond lengths are 3.14 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Al atoms. All Mg–Al bond lengths are 3.23 Å. Mo is bonded to twelve Al atoms to form MoAl12 cuboctahedra that share corners with six equivalent MoAl12 cuboctahedra, edges with eighteen equivalent AlMg3Al8Mo cuboctahedra, and faces with six equivalent AlMg3Al8Mo cuboctahedra. There are six shorter (2.61 Å) and six longer (2.86 Å) Mo–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Mg, one Mo, and eight Al atoms to form distorted AlMg3Al8Mo cuboctahedra that share corners with fifteen equivalent AlMg3Al8Mo cuboctahedra, edges with two equivalent AlMg3Al8Mo cuboctahedra, edges with three equivalent MoAl12 cuboctahedra, a faceface with one MoAl12 cuboctahedra, and faces with fifteen equivalent AlMg3Al8Mo cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.73–2.98 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent Mo and six equivalent Al atoms.},
doi = {10.17188/1685837},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}