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 17 March 2024

GraphTT (V1.0Beta), a program for embedding and visualizing periodic graphs in 3D Euclidean space

The program GraphTT (V1.0Beta) has been developed to embed graphical representations of observed and hypothetical chains of (SiO4)4− tetrahedra into 2D and 3D Euclidean space.

Accepted 13 March 2024

Permissible domain walls in monoclinic ferroelectrics. Part II. The case of MC phases

Following the previous work [Biran & Gorfman (2024). Acta Cryst. A80, 112–128], all the possibilities for permissible (mismatch-free) walls between monoclinic domains of pseudocubic ferroelectric perovskites of MC type are analyzed. The study yields analytical expressions for the orientation of such walls, the orientation relationship between the lattice vectors and for the separation between Bragg peaks diffracted from matched domains.

Accepted 13 March 2024

Bond topology of chain, ribbon and tube silicates. Part II. Geometrical analysis of infinite 1D arrangements of (TO4)n tetrahedra

It is shown that all possible topologically distinct chain graphs of tetrahedra may be embedded into 3D Euclidean space. In minerals, separations between linked T cations are 3.06 (15) Å and between unlinked T cations are >3.71 Å, and these distances constrain the ability of embedded chain graphs to occur as structural entities in crystals. Software (GraphT-T) allows this embedding to be tested for stereochemical viability.

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