A selection of cluster structures can be found in Figure , these structures are representative of some of the main outgrowing clusters identified later. For structures containing iodine oxyacids, we have omitted the intermolecular I-O halogen bonds. They were between 0.2-0.4 Å longer than the intramolecular I-O bonds. For all the structures containing iodine oxyacids, it is observed that I-O halogen bonds are the favored intramolecular bond, being favored over hydrogen bonds even if these are a viable alternative. For example, in the (HIO 3 ) 1 (HIO 2 ) 2 structure, it can be seen that the hydrogen on the IA is pointed away from the IsA molecules in order to allow for an I-O bond instead. Generally, we do not observe acid-base reactions between iodic acid and iodous acid. Acid base reactions are primarily observed between the acids and stronger bases rather than iodous acids, see for example the IA-MA and IA-DMA clusters in the figure. This is in contrast to previous calculations, where the IA-IsA acid-base interaction was observed to be prevalent. We have likewise included the oxide structures from our previous study,