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An attempt is made to correlate some of the observed features in the layer stacking sequences of the polytypes of SiC, ZnS and CdI 2  based on energetics at the atomic and molecular level. Semiempirical potential functions have been used for the atomic interactions and the difference in energy of the cubic and hexagonal packing has been estimated for the different cases. The observed relative proportions of these two types of packings is shown to be governed by the above difference in energy.

Study of relative energy of layer packing in polytypic crystals, using semiempirical methods*