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Materials Data on Mg3Al24Mo by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1685318· OSTI ID:1685318
(Mg)3MoAl24 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of twenty-four magnesium molecules and one MoAl24 framework. In the MoAl24 framework, Mo is bonded in a 12-coordinate geometry to twelve equivalent Al atoms. All Mo–Al bond lengths are 2.99 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 7-coordinate geometry to seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.94 Å. In the second Al site, Al is bonded in a 8-coordinate geometry to one Mo and seven Al atoms. There are one shorter (2.53 Å) and two longer (2.56 Å) Al–Al bond lengths.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1685318
Report Number(s):
mp-1213490
Country of Publication:
United States
Language:
English

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