forthcoming articles in Acta Crystallographica Section A

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 15 December 2014

Partial order among the 14 Bravais types of lattices: basics and applications

H. Grimmer

Synopsis: The partial order among Bravais types of lattices obtained by considering special cases is derived from their space-group symmetry and applied to continuous equi-translation phase transitions.


Accepted 11 December 2014

Twinning of aragonite - the crystallographic orbit and sectional layer group approach

M. Marzouki, B. Souvignier and M. Nespolo

Synopsis: The mimetic twinning of aragonite is explained by the high degree of pseudo-symmetry of the crystallographic orbits and the action of the twin operation on the structure slices which form the composition surface.


Accepted 1 December 2014

SHELXT - Integrated space-group and crystal structure determination

G. M. Sheldrick

Synopsis: SHELXT automates routine small-molecule structure determination starting from single-crystal reflection data, the Laue group and a reasonable guess as to which elements might be present.


Accepted 21 November 2014

Group-theoretical analysis of aperiodic tilings from projections of higher-dimensional lattices Bn

M. Koca, N. Ozdes Koca and R. Koc


Accepted 16 November 2014

A simple approach to estimate isotropic displacement parameters for hydrogen atoms

A. Ø. Madsen and A. A. Hoser

Synopsis: A simple approach to estimate temperature-dependent isotropic motion of hydrogen atoms is proposed. The model is validated against experimental data.


Accepted 13 November 2014

Generalized Penrose tiling as a quasilattice for decagonal quasicrystal structure analysis

M. Chodyn, P. Kuczera and J. Wolny

Synopsis: The article describes decorated generalized Penrose tiling as a potential quasilattice for models of decagonal quasicrystals. Its advantage over the conventional Penrose tiling is that its long-range order can be continuously changed if the tile decoration is fixed.


Accepted 12 November 2014

Density- and wavefunction-normalized Cartesian spherical harmonics for l [less-than or equal to] 20

J. R. Michael and A. Volkov

Synopsis: Cartesian real spherical harmonics for l [less-than or equal to] 20 and the corresponding normalization factors for the deformation density functions with an accuracy to 35 significant figures have been generated using the Wolfram Mathematica software and converted to a Fortran90 code.


Accepted 6 November 2014

The affine and Euclidean normalizers of the subperiodic groups

B. K. VanLeeuwen, P. A. Valentin de Jesus, D. B. Litvin and V. Gopalan

Synopsis: The affine and Euclidean normalizers of the subperiodic groups are derived and listed.


Accepted 5 November 2014

Mathematical aspects of molecular replacement. III. Properties of space groups preferred by proteins in the Protein Data Bank

G. Chirikjian, S. Sajjadi, D. Toptygin and Y. Yan

Synopsis: In order to characterize molecular-replacement search spaces, the structure of Sohncke groups is examined. It is observed that proteins most often crystallize in Sohncke groups with small torsion subgroups.




































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