Calculation of diffraction patterns of the icosahedral phase

Abstract

The method of calculating electron diffraction patterns of the simple quasilattice developed by Elser (1985, 1986) has been generalised to the case where the icosahedral phase is stacked with 20 prolate and oblate rhombohedra and each rhombohedron has the same atomic decoration. The electron diffraction patterns and the powder X-ray and neutron diffraction patterns for four atomic models have been calculated and compared with experimental ones.