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 10 August 2018

Dehydration of microporous vanadosilicates: the case of VSH-13Na

VSH-13Na crystals represent coherent intergrowths of two polytypes (allotwinning) characterized by different orientation of the V = O apical bond in the VO5 pyramids. The dehydration behaviour of this composite structure is presented in comparison with natural vanadosilicates.

Accepted 25 July 2018

Determination of the miscibility gap in the solid solutions series of methyl­ammonium lead iodide/chloride

The determination of the miscibility gap and of the maximum degree of Cl substitution in the hybrid perovskite solid solution series CH3NH3Pb(I,Cl)3, relevant for photovoltaic applications, based on high-resolution synchrotron powder X-ray data, is presented

Accepted 18 July 2018

Tri­ethylphosphine as a molecular gear — phase transitions in ferrocenyl–acetylide–gold(I)

A sequence of single-crystal-to-single-crystal phase transitions has been observed at low temperature for a ferrocenyl–acetylide–gold(I) complex with triethylphosphine. These phase transitions involve almost uniquely the conformational change of triethylphosphine – a gear-like rotation around the P—Au axis. The changes are sequential, occurring in well separated layers within the crystal lattice and result in a noticeable contraction of the crystal cell volume.

Accepted 18 July 2018

A priori bond-valence and bond-length calculations in rock-forming minerals

A priori bond valences and bond lengths are calculated for a series of rock-forming minerals. Comparison of a priori and observed bond lengths allows structural strain to be assessed for those minerals.

Accepted 9 July 2018

The puzzling structure of Cu5FeS4 (bornite) at low temperature

Several studies have focused on the positions of cations in bornite; however there is still a lack of definitive proof on the ordering of iron. Comparison between high-resolution diffraction data and EXAFS strongly suggests that the preferred location of iron is on two specific sites. Moreover, the high-resolution X-ray powder diffraction revealed that a low-temperature first transition occurs towards a even more puzzling structure, studied on the basis of the room-temperature structure.


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