forthcoming articles

A minimally invasive use of a focused ion beam at grazing incidence can reduce the size of bulk crystals without jeopardizing the structural and electronic order parameters.

Summary of the tools provided by the Bilbao Crystallographic Server for the analysis and determination of magnetic structures.

The planar (001) layers of external PbO4 square pyramids and internal OPb₄ tetrahedra in litharge (α-PbO) are converted into equivalent deeply corrugated (100) layers in massicot (ß-PbO) at temperatures between 850 and 925 K. The layers in both compounds are held together by van der Walls forces between Pb one pairs pointing directly or indirectly into the gap. The phase transformation of α to ß occurs through the cooperative movement of O atoms by around 1.2 Å that splits the internal O layers into two, while the Pb atoms remain in approximate cubic close packing on the outside of these layers. There is evidence for the involvement of an intermediate amorphous phase in this transformation. The need to re-break Pb—O bonds to convert back to litharge is the likely reason why massicot is metastable at ambient temperature. Please provide 1–2 sentences about the actual work in paper

Several Li⁺/Fe³⁺-doped Pbca orthoenstatite and Pbcn protoenstatite crystals were characterized revealing that varying levels of doping preferentially affect the py­rox­ene topologies.

An algorithm for dramatically reducing the number of QM calculations required to derive a flexibility model of molecules, whilst retaining the accuracy necessary for Crystal Structure Prediction, is presented. Torsional group partitioning can make previously inaccessibly large molecules tractable, and molecule 26 from the blind tests, and safinamide, are demonstrated as use cases