The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section B: Structural Science.
See also Forthcoming articles in all IUCr journals.
Synopsis: Rietveld refinements of high-pressure synchrotron powder X-ray diffraction measurements of lanthanum ferrite (LaFeO3) reveal two phase transitions (second and first order) on the room-temperature isotherm up to a pressure of 48 GPa. Equations of state were used to determine the bulk modulus of B0= 172 GPa and the corresponding pressure derivative of B'0 = 4.3.
Synopsis: Phase diagrams of the elements and equations of state for a wide range of pressures and temperatures are presented with innovative artwork for better visualization.
Synopsis: The oxidation-state independent `bond valence (s) versus bond length (r)' correlation curve for manganese-oxygen bonds has been closely approximated using the two-parameter s = f(r) function s = [(r0 - l)/(r - l)]2, where r0 = 1.763 (2) Å and l = 1.148 (9) Å.
Synopsis: Current research was performed with the purpose of solving the structure of a new ordered phase revealed in the quasi-binary UAl3-USi3 system. The final atomic model derived from a combination of electron and powder X-ray diffraction data could be explained by theoretical crystallography through a Bärnighausen tree, using the UAl3 structure as an aristotype.
Synopsis: The response of a negatively charged metal-organic framework to temperature has been studied in detail with multi-temperature single-crystal X-ray diffraction.
Synopsis: The spin-crossover behaviour under applied pressure of Fe(pmd)2[Ag(CN)2]2 (pmd = pyrimidine) has been investigated from the structural point of view by means of neutron Laue diffraction, and the results correlated with those of magnetic measurements to describe the pressure-temperature phase diagram of this compound.
Synopsis: Transition of Ca under pressure from close-packed structures face-centered cubic (f.c.c.) and base-centered cubic (b.c.c.) to the open-packed simple cubic structure is explained by a core electron overlap with the valence band. Ca-VII and In5Bi3 exhibit similar crystal structures due to common features of their electronic structure.
Synopsis: The structure of -cyclodextrin dimethylformamide 12.5 hydrate has been determined. The main factors responsible for the packing differences and similarities in related complexes have been investigated by a thorough structural analysis.
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