Figure 10
Al/Si ordering trends derived from the normalized occupancies of Al on the T and Tr sites (light-blue dotted curves). For example, if the T site is occupied and t = 0.6, then it is either occupied by Al (56% probability) or Si (44% probability). The respective Tr site is occupied by 69% Al and the T–Tr pair in 59% of the cases is integrated in a tricluster, 56% of the Al–Al–Al type and 3% of the Si–Al–Al type. The remaining fraction form Al–Si and Si–Al diclusters (10% combined) and Si–Si diclusters (31%). |