Structure model of γ-Al2O3 based on planar defects

The defect structure of gamma-Al2O3 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 gamma-Al2O3 are antiphase boundaries located on the lattice planes o00lthorn, which produce the sublattice shifts 1/4 < 10<(1)over bar >. Quantitative information about the defect structure of gamma-Al2O3 was obtained from the powder XRD patterns. This includes mainly the size of gamma-Al2O3 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 gamma-Al2O3, 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.