journal menuforthcoming articles
The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section A: Foundations and Advances.
See also Forthcoming articles in all IUCr journals.
research papersresearch papersLayer groups: Brillouin-zone and crystallographic databases on the Bilbao Crystallographic Server
The set of databases of the Bilbao Crystallographic Server (https://www.cryst.ehu.es/) including crystallographic data on generators, general positions, Wyckoff positions, maximal subgroups and Brillouin-zone figures and k-vector tables for all 80 layer groups are discussed in detail and illustrated.
research papersThe role of an objective function in the mathematical modelling of wide-angle X-ray diffraction curves of semi-crystalline polymers
The choice of an objective function in constructing a mathematical model of an experimental wide-angle X-ray diffraction curve of semi-crystalline polymers is discussed.
research papersX-ray molecular orbital analysis II. Application to diformohydrazide, (NHCHO)2
The molecular orbitals of diformohydrazide were determined by X-ray molecular orbital analysis and it became evident that the molecular orbitals can be obtained by optimizing the electron density observed by X-ray diffraction.
research papersThe wavevector star channel and symmetry group
The concepts of `wavevector star channel' and `wavevector star channel group' are newly proposed, which allow the effective study of phase transitions by considering directly the translational symmetry breaking in crystals. It is shown that the complicated symmetry changes in the pyroelectric crystal Pb1−xCaxTiO3 (PCT) can be described using the new five-component reducible order parameter transformed according to the representation of the wavevector star channel group but not the nine-component one based on the theory of the full irreducible representation of the space group.
