The determination of crystallite-size and lattice-strain parameters in conjunction with the profile-refinement method for the determination of crystal structures

It is shown that the current status of the least-squares profile-refinement method, for the determination of crystal structures from X-ray and neutron powder diagrams, allows the simultaneous determination of crystallite-size and lattice-strain parameters. As profile-shape functions the Voigt, pseudo-Voigt and Pearson VII functions are considered. Formulae are obtained enabling structure refinement and size-strain analysis in the same computer run.