forthcoming articles in Acta Crystallographica Section B

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.


Accepted 10 April 2014

High-pressure-induced structural changes, amorphization and molecule penetration in MFI microporous materials: a review

G. Vezzalini, R. Arletti and S. Quartieri


Accepted 2 April 2014

High-pressure phase transitions in the rare-earth orthoferrite LaFeO3

Etter, Müller, Hanfland and Dinnebier

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.


Accepted 20 March 2014

Polymorphism in two biologically active dihydropyrimidinium hydrochloride derivatives: Quantitative inputs towards the energetics associated with crystal packing

P. Panini, K. N. Venugopala, B. Odhav and deepak chopra


Accepted 7 March 2014

Structures of the elements - crystallography and art

W. B. Holzapfel

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.


Accepted 24 February 2014

Linear alkaline earth metal phosphinate coordination polymers: synthesis and structural characterization

J. A. Rood, A. L. Huttenstine, Z. A. Schmidt, M. R. White and A. G. Oliver


Accepted 23 February 2014

Universal `bond valence versus bond length' correlation curve for manganese-oxygen bonds

V. Sidey

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.


Accepted 18 February 2014

New ordered phase in the quasi-binary UAl3-USi3 system

G. Rafailov, I. Dahan and L. Meshi

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.


Accepted 17 February 2014

Anisotropic thermal expansion in a metal-organic framework

S. R. Madsen, N. Lock, J. Overgaard and B. B. Iversen

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.


Accepted 10 February 2014

Temperature- and pressure-dependent structural study of {Fe(pmd)2[Ag(CN)2]2} spin-crossover compound by neutron Laue diffraction

J. A. Rodríguez-Velamazán, L. Cañadillas-Delgado, M. Castro, G. J. McIntyre and J. A. Real

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.


Accepted 5 February 2014

Structural simplicity and complexity of compressed calcium: electronic origin

V. F. Degtyareva

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.


Accepted 30 January 2014

[beta]-Cyclodextrin dimethylformamide 12.5 hydrate: a deeper insight into [beta]-cyclodextrin crystal packing

R. Granero-García and F. P. A. Fabbiani

Synopsis: The structure of [beta]-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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