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Structure model of ?-Al2O3 based on planar defects.


ABSTRACT: The defect structure of ?-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 ?-Al2O3 are antiphase boundaries located on the lattice planes , which produce the sublattice shifts . Quantitative information about the defect structure of ?-Al2O3 was obtained from the powder XRD patterns. This includes mainly the size of ?-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 ?-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.

SUBMITTER: Rudolph M 

PROVIDER: S-EPMC6327185 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature

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Structure model of γ-Al<sub>2</sub>O<sub>3</sub> based on planar defects.

Rudolph Martin M   Motylenko Mykhaylo M   Rafaja David D  

IUCrJ 20190101 Pt 1


The defect structure of γ-Al<sub>2</sub>O<sub>3</sub> 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-Al<sub>2</sub>O<sub>3</sub> are antiphase boundaries located on the lattice pl  ...[more]

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