forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials.

See also Forthcoming articles in all IUCr journals.

Accepted 15 February 2021

Crystal structure, hydrogen bonds and thermal transformations of super­protonic conductor Cs6(SO4)3(H3PO4)4

Single crystals of Cs6(SO4)3(H3PO4)4 were studied by neutron diffraction methods, optical polarization microscopy, scanning electron microscopy and energy-dispersive X-ray spectroscopy. The crystal structure, including hydrogen-bond networks, and transformations with changes in temperature are reported in com­parison with Cs com­pounds having relatively similar com­positions.

Accepted 13 February 2021

Novel aluminophosphate Na6[Al3P5O20] with the original microporous crystal structure established in the study of a pseudomerohedric microtwin

Microporous sodium aluminophosphate, Na6[Al3P5O20], with a new type of structure, is described as being built of octahedral rods arranged in two perpendicular directions.

Accepted 9 February 2021

Synthesis, crystal growth, characterization and DFT investigation of nonlinear optically active cuminaldehyde derivative hydrazone


Accepted 2 February 2021

Crystal structure and enantiomeric layer disorder of a copper(I) nitrate π-coordination compound

A new type of structure disorder has been found in the π-coordination compound and local structure modelling based on X-ray diffuse scattering data was performed.

Accepted 2 February 2021

Structure, sequence of `Goldilocks zone'[?] phase transitions and ferroelasticity in C3H5N2Al(SO4)2·6H2O single crystal

Precise analysis of the structure and the phase transitions of an aluminium aqua complex salt is presented.

Accepted 11 January 2021

Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study

Specific features of crystal chemistry of lamprophyllite-related minerals are discussed, using the available literature data and the results of original single-crystal X-ray diffraction and Raman spectroscopic study of several samples from the Murun alkaline complex (Russia) and Rocky Boy and Gordon Butte pegmatites (USA).

Accepted 10 January 2021

AB-stacked nanosheet-based hexagonal boron nitride


Accepted 8 January 2021

Polymorphs of phenazine hexa­cyano­ferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network

The crystal structures of two polymorphs of a phenazine hexa­cyano­ferrate salt/cocrystal are presented. The polymorphs are remarkably similar, both comprising two-dimensional hydrogen-bonded networks built from the same supramolecular units.

Accepted 19 December 2020

Looking at local classical and quantum forces in stable crystals using multipole-model refined electron densities and orbital-free DFT approximations

By cleverly combining concepts and tools from different disciplines and by making use of the X-ray derived electron density, the balance of quantum and electrostatic local forces acting on electrons in stable crystals can now be analysed. This is illustrated for diamond and the NaCl crystal, in terms of a topological analysis of the scalar potentials associated to these forces.


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