The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section A: Foundations of Crystallography.
See also Forthcoming articles in all IUCr journals.
Synopsis: A new diffraction data analysis method for SFX is proposed. This method is found to obtain satisfactory results.
Synopsis: The coincidence problem for lattices, shifted lattices and crystallographic point packings is considered. The results are illustrated using a shifted square lattice and the diamond packing.
Synopsis: An efficient procedure and computer program have been developed to perform an accurate parameterization for the scattering factors with the correct inclusion of all physical constraints.
Synopsis: Diffuse Scattering from PZN (PbZnNbO3) has been analysed by combining the average structure revealed by Bragg diffraction with the requirements of the bond-valence sum. This goes beyond previous models, which are more prescriptive and artificial in nature, although not all key aspects of the short-range order can be shown to arise `naturally' out of the modelled interactions.
Synopsis: The revealed one-to-one correspondence between a set of cosets of the Mathieu group M11, block sets of the Steiner system S (4, 5, 11) and 11-vertex equiedged triangulated clusters determines symmetry allowable transformations between different 11-vertex triangulated clusters as automorphisms of the Steiner system S (4, 5, 11). The said transformations can describe local reconstructions corresponding to polymorphic transformations in metals.
Synopsis: Accurate atomic displacement parameters obtained from time-of-flight single-crystal diffraction neutron data, collected at the newly commissioned SNS beamline TOPAZ, are presented for two organic crystals and compared to those obtained from four alternative methods: experimental charge density modelling, high order independent atom models, estimates from combined TLS analysis and literature values as implemented in SHADE, and Hirshfeld atom refinement based on X-ray diffraction data.
Synopsis: An algorithm for calculating the 2 diffraction profiles is developed based on the dynamical theory of X-ray diffraction for multi-beam cases. The connection between the 2 scanned profiles and the excitation of mode is revealed.
Synopsis: All homogeneous sphere packings were derived that refer to the trivariant orthorhombic lattice complexes of the space groups belonging to crystal class 222.
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