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Title: Materials Data on Mg3(Al9W)2 by Materials Project

Abstract

Mg3(WAl9)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 3.13 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 3.22 Å. W is bonded to twelve Al atoms to form WAl12 cuboctahedra that share corners with six equivalent WAl12 cuboctahedra, edges with eighteen equivalent AlMg3Al8W cuboctahedra, and faces with six equivalent AlMg3Al8W cuboctahedra. There are six shorter (2.61 Å) and six longer (2.87 Å) W–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Mg, one W, and eight Al atoms to form distorted AlMg3Al8W cuboctahedra that share corners with fifteen equivalent AlMg3Al8W cuboctahedra, edges with two equivalent AlMg3Al8W cuboctahedra, edges with three equivalent WAl12 cuboctahedra, a faceface with one WAl12 cuboctahedra, and faces with fifteen equivalent AlMg3Al8W cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.74–3.00 Å.more » In the second Al site, Al is bonded in a distorted linear geometry to two equivalent W and six equivalent Al atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1205144
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; Mg3(Al9W)2; Al-Mg-W
OSTI Identifier:
1705786
DOI:
https://doi.org/10.17188/1705786

Citation Formats

The Materials Project. Materials Data on Mg3(Al9W)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705786.
The Materials Project. Materials Data on Mg3(Al9W)2 by Materials Project. United States. doi:https://doi.org/10.17188/1705786
The Materials Project. 2020. "Materials Data on Mg3(Al9W)2 by Materials Project". United States. doi:https://doi.org/10.17188/1705786. https://www.osti.gov/servlets/purl/1705786. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1705786,
title = {Materials Data on Mg3(Al9W)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3(WAl9)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 3.13 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 3.22 Å. W is bonded to twelve Al atoms to form WAl12 cuboctahedra that share corners with six equivalent WAl12 cuboctahedra, edges with eighteen equivalent AlMg3Al8W cuboctahedra, and faces with six equivalent AlMg3Al8W cuboctahedra. There are six shorter (2.61 Å) and six longer (2.87 Å) W–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three Mg, one W, and eight Al atoms to form distorted AlMg3Al8W cuboctahedra that share corners with fifteen equivalent AlMg3Al8W cuboctahedra, edges with two equivalent AlMg3Al8W cuboctahedra, edges with three equivalent WAl12 cuboctahedra, a faceface with one WAl12 cuboctahedra, and faces with fifteen equivalent AlMg3Al8W cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.74–3.00 Å. In the second Al site, Al is bonded in a distorted linear geometry to two equivalent W and six equivalent Al atoms.},
doi = {10.17188/1705786},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}