U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgAl3 by Materials Project
Abstract
Al3Mg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve Al atoms to form MgAl12 cuboctahedra that share corners with six equivalent MgAl12 cuboctahedra, corners with twelve AlMg4Al8 cuboctahedra, edges with eighteen AlMg4Al8 cuboctahedra, faces with eight equivalent MgAl12 cuboctahedra, and faces with twelve AlMg4Al8 cuboctahedra. There are six shorter (2.91 Å) and six longer (2.99 Å) Mg–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Mg and eight Al atoms to form distorted AlMg4Al8 cuboctahedra that share corners with four equivalent MgAl12 cuboctahedra, corners with fourteen AlMg4Al8 cuboctahedra, edges with six equivalent MgAl12 cuboctahedra, edges with twelve AlMg4Al8 cuboctahedra, faces with four equivalent MgAl12 cuboctahedra, and faces with sixteen AlMg4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.83–2.99 Å. In the second Al site, Al is bonded to four equivalent Mg and eight Al atoms to form distorted AlMg4Al8 cuboctahedra that share corners with four equivalent MgAl12 cuboctahedra, corners with fourteen AlMg4Al8 cuboctahedra, edges with six equivalent MgAl12 cuboctahedra, edges with twelve AlMg4Al8 cuboctahedra, faces with four equivalent MgAl12 cuboctahedra, and facesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1039119
- 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; MgAl3; Al-Mg
- OSTI Identifier:
- 1687971
- DOI:
- https://doi.org/10.17188/1687971
Citation Formats
The Materials Project. Materials Data on MgAl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1687971.
The Materials Project. Materials Data on MgAl3 by Materials Project. United States. doi:https://doi.org/10.17188/1687971
The Materials Project. 2020.
"Materials Data on MgAl3 by Materials Project". United States. doi:https://doi.org/10.17188/1687971. https://www.osti.gov/servlets/purl/1687971. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1687971,
title = {Materials Data on MgAl3 by Materials Project},
author = {The Materials Project},
abstractNote = {Al3Mg is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve Al atoms to form MgAl12 cuboctahedra that share corners with six equivalent MgAl12 cuboctahedra, corners with twelve AlMg4Al8 cuboctahedra, edges with eighteen AlMg4Al8 cuboctahedra, faces with eight equivalent MgAl12 cuboctahedra, and faces with twelve AlMg4Al8 cuboctahedra. There are six shorter (2.91 Å) and six longer (2.99 Å) Mg–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Mg and eight Al atoms to form distorted AlMg4Al8 cuboctahedra that share corners with four equivalent MgAl12 cuboctahedra, corners with fourteen AlMg4Al8 cuboctahedra, edges with six equivalent MgAl12 cuboctahedra, edges with twelve AlMg4Al8 cuboctahedra, faces with four equivalent MgAl12 cuboctahedra, and faces with sixteen AlMg4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.83–2.99 Å. In the second Al site, Al is bonded to four equivalent Mg and eight Al atoms to form distorted AlMg4Al8 cuboctahedra that share corners with four equivalent MgAl12 cuboctahedra, corners with fourteen AlMg4Al8 cuboctahedra, edges with six equivalent MgAl12 cuboctahedra, edges with twelve AlMg4Al8 cuboctahedra, faces with four equivalent MgAl12 cuboctahedra, and faces with sixteen AlMg4Al8 cuboctahedra. Both Al–Al bond lengths are 2.94 Å. In the third Al site, Al is bonded to four equivalent Mg and eight Al atoms to form distorted AlMg4Al8 cuboctahedra that share corners with four equivalent MgAl12 cuboctahedra, corners with fourteen AlMg4Al8 cuboctahedra, edges with six equivalent MgAl12 cuboctahedra, edges with twelve AlMg4Al8 cuboctahedra, faces with four equivalent MgAl12 cuboctahedra, and faces with sixteen AlMg4Al8 cuboctahedra. There are one shorter (2.83 Å) and one longer (2.99 Å) Al–Al bond lengths.},
doi = {10.17188/1687971},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}