Computation in electron microscopy

The numerical computation of high-resolution transmission electron micrographs from first principles and its inverse are surveyed.

Synchrotron powder diffraction of silicon: high-quality structure factors and electron density

High-quality, high-resolution structure factors are obtained for silicon by synchrotron powder X-ray diffraction, where the estimated uncertainties are assessed based on sampling statistics contrary to the commonly used counting statistics. The quality and resolution of the data set enable an explicit modelling of both the valence and inner electron density.

Structure of ordered coaxial and scroll nanotubes: general approach

The structure of ordered multiwalled coaxial and cylindrical scroll nanotubes is described on the basis of a primitive oblique cell and a cylindrical lattice. Coordinates of the atoms in the nanotube are achieved by the transfer of its bulk analogue structure onto a cylindrical surface with a circular or spiral cross section.

What is an `ideally imperfect' crystal? Is kinematical theory appropriate?

The diffraction from imperfect crystals and the applicability of kinematical theory are described.

Merohedral twins revisited: quinary twins and beyond

The generalization of lattice invariance in merohedral twins to -module invariance is discussed.

Towards solution and refinement of organic crystal structures by fitting to the atomic pair distribution function

A method is developed to fit the position and orientation of molecules to the pair distribution function (PDF) starting from random values, opening the door towards the solution of crystal structures of poorly crystalline organic compounds by fitting to the PDF.

A table of geometrical ambiguities in powder indexing obtained by exhaustive search

A table of geometrical ambiguities obtained by an exhaustive search is presented.

Eighteenth-century forms of quasicrystals

The symmetries of some crystal models published in 1783 by Romé de L'Isle are analysed. The models are shown to have the external symmetry of quasicrystals.

Twenty-Third General Assembly and International Congress of Crystallography, Montreal, Canada, 5–12 August 2014

X-Ray Crystallography

Foundations of Crystallography with Computer Applications

The Basics of Crystallography and Diffraction