Locating the Al atom in Ni14Al–Ni19Al clusters

Reactions of N2 with NinAl clusters, n=14–19, are used to determine the location of the Al atom within the cluster framework. N2 saturation levels are consistent with cluster structures in which one surface atom of the corresponding Nin+1 cluster is replaced with an Al atom. For n=14 and 17–19 it is possible to precisely locate the Al atom within the surface. In general, its placement maximizes the number of Ni–Al bonds for a surface Al atom.