A short-range interaction model for polytypism and planar defect placement in sapphirine

The concept of short-range interlayer interactions, fundamental to spin-analogue models for polytypism, is examined in the case of sapphirine. Consideration of interactions out to fourth-nearest neighbours provides a rationale for the difference between the polytype suites observed for sapphirine and wollastonite. In each case, the observed long-period structures are consistent with those predicted to be stable by the appropriate mappings onto the axial next-nearest neighbour model. Short-range interaction parameters may also be used to express stacking fault energies. This approach, combined with a simple nucleation-andgrowth model, is used to examine the possibility of metastable generation of complex polytypes in sapphirine. Statistical analysis of defect distributions and frequencies in sapphirine suggests that interactions over several hundred Ångstroms must be considered if the stacking energetics are to be accurately modelled.