forthcoming 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.

Accepted 24 January 2019

On Two Special Classes of Parallelohedra in E^6

Accepted 22 January 2019

Shape transform phasing of edgy nanocrystals

Reconstruction of an object from the averaged coherent diffracted intensity of finite crystals of that object with arbitrary lattice occupancies is possible. An algorithm capable of reconstructing both the so-called averaged shape transform and the object density at the same time is demonstrated.

Accepted 9 January 2019

Extension of the transferable aspherical pseudoatom data bank towards comparison of molecular electrostatic potentials for structure–activity studies

The transferable aspherical pseudoatom data bank, UBDB2018, is extended with over 130 new atom types present in small and biological molecules of importance in biology and chemistry. UBDB2018 can be used to enhance the physical meaning of molecular electrostatic potentials to be utilised, among others, in drug discovery studies.

Accepted 8 January 2019

Aperiodic Order: Volume 2, Crystallography and Almost Periodicity

Accepted 7 January 2019

Identification of the impurity phase in high-purity CeB6 by convergent-beam electron diffraction

The impurity phase in high-purity CeB6 is unequivocally identified by first determining its space group, using an iterative convergent-beam electron diffraction (CBED) approach, and following this with an atomic structure confirmation by quantitative convergent-beam electron diffraction (QCBED) and high-angle annular dark-field scanning transmission electron microscopy.

Accepted 4 January 2019

Bonding network and stability of clusters: the case study of Al13TM4 pseudo-tenfold surfaces

Accepted 3 January 2019

Full real-space analysis of a dodecagonal quasicrystal

Analysis of a dodecagonal quasicrystal based on 8100 vertices from atomically resolved scanning tunnelling microscopy has been carried out. A detailed frequency and orientational analysis is presented for the triangle–square–rhomb tiling of a BaTiO3-derived quasicrystal.

Accepted 26 December 2018

Group-theoretical analysis of 1:3 A-site-ordered perovskite formation

A group-theoretical analysis of 1:3 A-site-ordered perovskite structures is reported.

Accepted 24 December 2018

Aspects of the topology of actinide atom substructures in crystal structures and the concept of antiliquid

Consideration of the maximum space-filling principle and the short-range (local) and long-range (translational) order using Voronoi–Dirichlet polyhedra reveals the most probable number of neighboring atoms and the concept of antiliquid.

Accepted 10 December 2018

Principles of weakly ordered domains in intermetallics: the cooperative effects of atomic packing and electronics in Fe2Al5

The Fe2Al5 structure is remarkable among intermetallic phases for its channels of weakly ordered Al atoms. This article traces the origins of these channels to the cooperative effects of soft atomic motions dictated by chemical pressure quadrupoles and preferred electron concentrations.

Accepted 4 December 2018

Phason-flips refinement of and multiple-scattering correction for the d-AlCuRh quasicrystal

The structure factor with lattice phason flips for a decagonal quasicrystal is derived. Bias in the calculated diffraction data is most likely to be a consequence of multiple scattering.

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