Structure model of γ-Al2O3 based on planar defects

• Main Authors: Martin Rudolph, Mykhaylo Motylenko, David Rafaja
• Format: Article
• Language: English
• Published: International Union of Crystallography 2019-01-01
• Series: IUCrJ
• Subjects: γ-alumina; microstructure defects; antiphase boundaries; rotational boundaries; selected-area electron diffraction; powder X-ray diffraction; Debye equation; anisotropic broadening
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2052252518015786

The defect structure of γ-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 γ-Al2O3 are antiphase boundaries located on the lattice planes (00l), which produce the sublattice shifts {{1}\over{4}}\langle 10{\overline 1}\rangle. Quantitative information about the defect structure of γ-Al2O3 was obtained from the powder XRD patterns. This includes mainly the size of γ-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 γ-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.