Three-dimensional reconstruction of the nu-AlCrFe phase by electron crystallography.

The three-dimensional (3D) structure of the huge quasicrystal approximant nu-AlFeCr (space group P6(3)/m, a = 40.687 and c = 12.546 A) was solved by electron crystallography. High-resolution transmission-electron-microscopy (HREM) images and selected-area electron diffraction patterns from 13 different zone axes were combined to give a 3D potential map. 124 out of 129 unique atoms were found in the 3D map. Procedures for ab initio structure determination by 3D reconstruction are given. It is demonstrated that 3D reconstruction from HREM images is very powerful for solving structures--even very complicated ones. There is no limit in terms of the number of unique atoms in a structure that can be solved by 3D reconstruction.