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 8 July 2014

Adsorption structure of dimethyl ether on silicalite-1 zeolite determined using single-crystal X-ray diffraction

S. Fujiyama, S. Seino, N. Kamiya, K. Nishi and Y. Yokomori

Synopsis: The most stable sorption site of dimethyl ether on silicalite-1 is the sinusoidal channel. The configuration of guest molecules (linear or bent) plays an important role in determining where the stable sorption site is situated.


Accepted 26 June 2014

The trimorphic structure of N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine

M. T. Kaczmarek and M. Kubicki

Synopsis: Three crystal forms of the new Schiff base ligand, N,N'-bis(5-methylsalicylidene)-4-methyl-1,3-phenylenediamine, have been found in the course of the synthesis of its complexes with rare earth metals. These forms have different numbers of symmetry-independent molecules (Z' = 1, 3 and 4); only weak intermolecular interactions are involved in the crystal structure as the strong hydrogen bond donors are engaged in relatively strong intramolecular O-H...N bonds.


Accepted 18 June 2014

Experimental and theoretical investigation on the compression mechanism of FeF3 up to 62.0 GPa

F. Zhu, X. Lai, X. Wu, Y. Li and S. Qin

Synopsis: VF3-type FeF3 is predicted to become unstable above 51 GPa, as the result of enhanced structural distortion caused by development of octahedral elongation along the a axis.


Accepted 12 June 2014

Succinate esters: odd-even effects in melting points

S. Joseph and R. Sathishkumar


Accepted 12 June 2014

Structural aspects of intermolecular interactions in the solid state of 1,4-dibenzylpiperazines bearing nitrile or amidine groups

M. Rezler, T. Zolek, I. Wolska and D. Maciejewska

Synopsis: X-ray diffraction analyses for new pentamidine analogs are presented: 1,4-bis(4-cyanobenzyl)piperazine (1) crystallizes in the triclinic space group (P\bar 1) and 1,4-bis(4-amidinobenzyl)piperazine tetrahydrochloride tetrahydrate (2) in the monoclinic space group (P21/n) revealing a complex system of hydrogen bonds for (2).


Accepted 11 June 2014

Solid-state transformation of nanocrystalline phyllomanganate into tectomanganate; influence of initial layer and interlayer structure

S. Grangeon, B. Lanson and M. Lanson

Synopsis: Synthetic vernadite was equilibrated at pH values ranging from 3 to 10 and its crystal structure elucidated using X-ray diffraction on fresh samples and on samples aged for up to 8 years. The main structural transformation with time is related to the migration of Mn3+ from the octahedral layer to the interlayer. For low pH samples, which initially contain a higher number of interlayer Mn3+, this transformation leads to a tunnel-like cryptomelane structure (2 × 2 tunnel size).


Accepted 5 June 2014

Prediction of possible CaMnO3 modifications using an ab initio minimization data-mining approach

J. Zagorac, D. Zagorac, A. Zarubica, J. C. Schön, K. Djuris and B. Matovic




































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