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Materials Data on MgAl by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1751669· OSTI ID:1751669
MgAl is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing MgMg4Al8 cuboctahedra. There are two shorter (3.02 Å) and two longer (3.13 Å) Mg–Mg bond lengths. There are a spread of Mg–Al bond distances ranging from 2.94–3.09 Å. Al is bonded in a 12-coordinate geometry to eight equivalent Mg and two equivalent Al atoms. Both Al–Al bond lengths are 2.92 Å.
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:
1751669
Report Number(s):
mp-1094987
Country of Publication:
United States
Language:
English

References (2)

Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides journal October 2006
Adsorption of cholate anions on layered double hydroxides: effects of temperature, ionic strength and pH journal November 2008

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