Abstract
A study of the site occupation of iron within the montmorillonite lattice was achieved through calculations of the lattice contribution to the electric field gradient at the four sites present in the lattice, using the point-charge model. The effect of substitution at neighboring cation sites of < 5 a distance has been assessed. Comparison between the calculated and fitted quadrupole splitting values indicated that about 72% of the ferric ions occupy cis-OH sites and 28% trans-OH sites.
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