Structure model of γ-AlO based on planar defects.

The defect structure of γ-AlO derived from boehmite was investigated using a combination of selected-area electron diffraction (SAED) and powder X-ray diffraction (XRD). Both methods confirmed a strong dependence of the diffraction line broadening on the diffraction indices known from literature. The analysis of the SAED patterns revealed that the dominant structure defects in the spinel-type γ-AlO are antiphase boundaries located on the lattice planes , which produce the sublattice shifts . Quantitative information about the defect structure of γ-AlO was obtained from the powder XRD patterns. This includes mainly the size of γ-AlO crystallites and the density of planar defects. The correlation between the density of the planar defects and the presence of structural vacancies, which maintain the stoichiometry of the spinel-type γ-AlO, is discussed. A computer routine running on a fast graphical processing unit was written for simulation of the XRD patterns. This routine calculates the atomic positions for a given kind and density of planar defect, and simulates the diffracted intensities with the aid of the Debye scattering equation.