The relationships established above on the basis of the DFT-optimized structures are corroborated when looking at the F-Si RDFs computed from the AIMD trajectories, which are shown in Figure (T = 298 K). The first maximum, which corresponds to the primary F-Si bond, is centred at 1.76±0.01 Å for all zeolites except STT, where it is shifted to about 1.8 Å. Moreover, the maximum is somewhat broader for IFR, STT, and CHA compared to NON and the two STF models. In the distance range between the first and second maximum, non-zero g(r) values are prominently visible for IFR and STT (see inset of Figure ). These F-Si distances between about 2.0 and 2.2 Å occur during the dynamic events, when a fluoride anion moves between primary and secondary Si atom. Accordingly, the RDF drops (exactly or almost) to zero for the other zeolites, where no dynamic events occur at this temperature. The most noteworthy difference in the F-Si RDFs, however, is the onset of the second maximum: The rise in g(r), for the present purpose arbitrarily defined using the F-Si distance where g(r) exceeds 0.