Static lattice and molecular dynamic atomistic computer simulations have be
en performed on mixed alkali (Na-K) beta-aluminas. The simulations exhibit
the mixed alkali effect, more commonly associated with glasses. The maximum
deviation from linearity is seen at 75K/25Na, in accord with experiment. A
simple structural explanation for the effect is proposed to be the differe
nt site preferences adopted by sodium and potassium in exchanged or substit
uted structures.