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 22 April 2018

Structure of russellite (Bi2WO6): origin of ferro­electricity and the effect of a stereoactive lone electron pair on the structure

The structure of low-temperature polar (orthorhombic) phase of russellite (Bi2WO6) was re-examined with single-crystal X-ray diffraction. The position of the stereochemically active lone pair of bis­muth was found on the line running through the Bi sites in the b-axis direction. The cause of the ferroelectricity of the compound was ascribed to the strong demand of bis­muth to form shorter Bi—O bonds, and this resulted in the cooperative shift of tungsten leaving its ligands behind.

Accepted 22 March 2018

Chemistry of Carbon Nanostructures


Accepted 9 March 2018

Crystal structures of K2[XSi5O12] (X = Fe2+, Co, Zn) and Rb2[XSi5O12] (X = Mn) leucites: comparison of monoclinic P21/c and Ia{\overline 3}d polymorph structures and inverse relationship between tetrahedral cation (T = Si and X)—O bond distances and intertetra­hedral T—O—T angles

Crystal structures for synthetic analogues of the mineral leucite (KAlSi2O6) with stoichiometries of K2X2+Si5O12 (X = Fe2+, Co, Zn) and Rb2X2+Si5O12 (X = Mn) have been refined from X-ray powder diffraction data. These materials are partially substituted tetrahedrally coordinated framework silicates. Structures refined in the space group P21/c have ordered Si and X cations on the tetrahedrally coordinated (T = Si or X) sites, whereas structures refined in the space group Ia{\overline 3}d have disordered Si and X cations on the T sites. In these leucite structures there is an inverse relationship between the tetrahedral T—O distances and the intertetrahedral T—O—T angles. TOO LONG, please REWORD

Accepted 7 March 2018

Theory of order–disorder phase transitions of B-cations in AB1/2B′′1/2O3 perovskites

A theory of order–disorder phase transitions of B-cations in AB1/2B′′1/2O3 perovskites is developed which allows reliable estimation of the phase transition temperatures and of the reduced lattice constants of such compounds.

Accepted 4 March 2018

Investigation of interactions in [or of?] Lewis pairs between phosphines and boranes by analyzing crystal structures from the Cambridge Structural Database

The differences in crystallographic parameters of various phosphine–borane pairs have been described. It was found that truly frustrated Lewis pairs could not be isolated. This report also suggests a revising of the nomenclature of the pairs.


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