Crystal morphology prediction and morphology variation in NaIO4 and NaIO4.3H2O

Attachment energies computed with only Coulomb potentials have been utilized to predict crystal morphologies for NaIO4, sodium iodate, and the hydrate NaIO4.3H(2)O, sodium iodate trihydrate [actually Na(H3O)(IO3)(OH)(3)]. As with other previously studied water-soluble ionic compounds, these two systems exhibit a systematic relationship between the early growth morphology and that of mature crystals; this relationship can in each case be reproduced by adjusting one attachment energy value. Morphology prediction for these two substances is of particular interest because NaIO4.3H(2)O is a polar crystal and involves extensive hydrogen bonding, and because obtaining the observed morphology for NaIO4 involved consideration of solvent desorption at the growing faces.