A method was proposed for the calculation of the X-ray and neutron diffraction profiles of crystals with layer defects. Averages over a computer model of a configurational ensemble of crystallites and defects were used to define the scattering cross-section. The method easily allowed for the modelling of complex defect geometries or correlations. As examples, diffracted intensity profiles were presented for monoclinic martensite, trigonal polytypes and body-centered cubic crystals.

R.Berliner, R.J.Gooding: Acta Crystallographica, 1994, A50[1], 98-106