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.

Accepted 3 September 2014

Accepted 30 August 2014

**Synopsis: **Experimentally constrained wavefunctions are calculated for -glycylglycine using high-resolution X-ray structure factors and the Extremely Localized Molecular Orbital formalism.

Accepted 29 August 2014

**Synopsis: **This report describes complete practical guidelines and insights for the crystalline sponge method, which have been derived through the first use of synchrotron radiation on these systems, and includes a procedure for faster synthesis of the sponges. These guidelines will be applicable to crystal sponge data collected at synchrotrons or in-house facilities, and will allow researchers to obtain reliable high-quality data and construct chemically and physically sensible models for guest structural determination.

Accepted 22 August 2014

**Synopsis: **Crystallographic least squares properties are derived from discrepancy functions working in direct space.

Accepted 20 August 2014

**Synopsis: **A new crystallographic quantum-mechanical/molecular-mechanical model for the prediction of molecular crystal structures is described. Applications include polymorphic systems and molecules from the CCDC blind tests of crystal structure prediction.

Accepted 25 July 2014

**Synopsis: **The structure of a particular type of hollow cage fullerenes () is described in detail, and their existence explained from a symmetry breaking mechanism starting from perfect icosahedral symmetry of to specific subgroups . This mechanism expands previous results describing the existence of other groups of fullerenes () based on the breaking of icosahedral symmetry of to the subgroup . The mechanism is extended to describe the cases that generate carbon nanotubes, as well as stereoisomers of the molecule.

Accepted 23 July 2014

**Synopsis: **A new diffraction data analysis method for SFX is proposed. This method is found to obtain satisfactory results.

Accepted 18 July 2014

**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.

Accepted 15 July 2014

**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.

Accepted 11 July 2014

**Synopsis: **Diffuse Scattering from PZN (PbZnNbO_{3}) 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.

Accepted 7 July 2014

**Synopsis: **Twelvefold symmetric quasicrystallographic structures are obtained from the projections of the lattices described by the Coxeter-Weyl groups *W*(*F*_{4}), *W*(*B*_{6}) and *W*(*E*_{6}). The strip projection technique leads to results compatible with some experimental data.

Accepted 5 July 2014

**Synopsis: **The revealed one-to-one correspondence between a set of cosets of the Mathieu group *M*_{11}, block sets of the Steiner system S(4, 5, 11) and 11-vertex equi-edged 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.

Accepted 17 June 2014

**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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