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Electron density determination based on structure factors obtained through powder X‐ray diffraction has so far been limited to high‐symmetry inorganic solids. This limit is challenged by determining high‐quality structure factors for crystalline urea using a bespoke vacuum diffractometer with...
Using a theory of X‐ray diffraction moiré fringes developed in a previous paper, labelled Part I [Yoshimura (2015). Acta Cryst. A71, 368–381], the X‐ray moiré images of a silicon bicrystal having a weak curvature strain and an interspacing gap, assumed to be integrated for an incident‐wave...
The Debye–Waller factor explains the temperature dependence of the intensities of X‐ray or neutron diffraction peaks. It is defined in terms of the B matrix whose elements Bαβ are mean‐square atomic displacements in different directions. These quantities, introduced in several contexts, account...
A method is presented for predicting the space group of a structure given a calculated or measured atomic pair distribution function (PDF) from that structure. The method utilizes machine learning models trained on more than 100 000 PDFs calculated from structures in the 45 most heavily...
Ruddlesden–Popper oxides, (AO)(ABO3)n, occupy a prominent place in the landscape of materials research because of their intriguing potential applications. Compositional modifications to the cation sublattices, A or B, have been explored in order to achieve enhanced functionalities. However,...
Seven corrections are made and several supplementary equations are added to the article by Yoshimura [Acta Cryst. (2015), A71, 368–381].
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