M. Widom et al., STRUCTURAL MODEL OF ORTHORHOMBIC AL3CO, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 71(3), 1995, pp. 397-406
The Al-Co alloy system contains a phase Al3Co of unknown structure. Re
cently Ma and Kuo determined its space group as Pnmn with lattice cons
tants a = 12.5 angstrom, b = 8.1 angstrom and c = 14.6 angstrom. We pr
opose a structural model for the orthorhombic phase of Al3Co including
explicit atomic positions and occupancy factors. This model relates t
o the monoclinic phase of Al13Co4 by periodic twinning. Our model disp
lays mechanical and thermodynamic stability as determined using approx
imate pair potentials developed for the Al-Co alloys.