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Title: Materials Data on MgAlB4 by Materials Project

Abstract

MgAlB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent B atoms to form MgB12 cuboctahedra that share edges with twelve equivalent AlB12 cuboctahedra, faces with two equivalent AlB12 cuboctahedra, and faces with six equivalent MgB12 cuboctahedra. All Mg–B bond lengths are 2.51 Å. Al is bonded to twelve equivalent B atoms to form AlB12 cuboctahedra that share edges with twelve equivalent MgB12 cuboctahedra, faces with two equivalent MgB12 cuboctahedra, and faces with six equivalent AlB12 cuboctahedra. All Al–B bond lengths are 2.36 Å. B is bonded in a 9-coordinate geometry to three equivalent Mg, three equivalent Al, and three equivalent B atoms. All B–B bond lengths are 1.75 Å.

Authors:
Publication Date:
Other Number(s):
mp-1207086
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; MgAlB4; Al-B-Mg
OSTI Identifier:
1746483
DOI:
https://doi.org/10.17188/1746483

Citation Formats

The Materials Project. Materials Data on MgAlB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746483.
The Materials Project. Materials Data on MgAlB4 by Materials Project. United States. doi:https://doi.org/10.17188/1746483
The Materials Project. 2020. "Materials Data on MgAlB4 by Materials Project". United States. doi:https://doi.org/10.17188/1746483. https://www.osti.gov/servlets/purl/1746483. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746483,
title = {Materials Data on MgAlB4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgAlB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent B atoms to form MgB12 cuboctahedra that share edges with twelve equivalent AlB12 cuboctahedra, faces with two equivalent AlB12 cuboctahedra, and faces with six equivalent MgB12 cuboctahedra. All Mg–B bond lengths are 2.51 Å. Al is bonded to twelve equivalent B atoms to form AlB12 cuboctahedra that share edges with twelve equivalent MgB12 cuboctahedra, faces with two equivalent MgB12 cuboctahedra, and faces with six equivalent AlB12 cuboctahedra. All Al–B bond lengths are 2.36 Å. B is bonded in a 9-coordinate geometry to three equivalent Mg, three equivalent Al, and three equivalent B atoms. All B–B bond lengths are 1.75 Å.},
doi = {10.17188/1746483},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}