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 27 October 2014

Structural investigations in BaFe2-xRuxAs2 as a function of Ru and temperature

S. Sharma, A. Bharathi, K. Vinod, C. S. Sundar, V. Srihari, S. Sen, H. Ghosh, A. K. Sinha and S. K. Deb

Accepted 18 October 2014

Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)

J. van de Streek and M. A. Neumann

Accepted 6 October 2014

Atomic structure solution of the complex quasicrystal approximant Al77Rh15Ru8 from electron diffraction data

S. Samuha, E. Mugnaioli, B. Grushko, U. Kolb and L. Meshi

Synopsis: The crystal structure of the novel Al77Rh15Ru8 phase (which is an approximant of decagonal quasicrystals) was determined from automated electron diffraction tomography (ADT) data. It has one of the most complicated intermetallic structures solved solely by electron diffraction methods.

Accepted 3 October 2014

Reassessment of the electron density in Cu2O using [gamma]-ray diffraction

W. Jauch and M. Reehuis

Synopsis: The electron-density distribution in Cu2O has been critically reexamined to test controversial conclusions from earlier experimental and theoretical studies.

Accepted 26 September 2014

Assembled structures of tetra­kis­(bi­imidazole)dirhodium complexes hydrogen-bonded with common inorganic anions

J. Long, K. Uemura and M. Ebihara

Synopsis: Metal-metal-bonded dirhodium complexes with four chelating biimidazole ligands at equatorial sites and two axial ligands gave novel assembled structures with common inorganic anions.

Accepted 26 September 2014

Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers

K. Lamberts, A. Möller and U. Englert

Synopsis: Chain polymers crystallize from aqueous solutions of CaII and MnII halides with enantiopure or racemic alanine to form a series of closely related structure types.

Accepted 25 September 2014

Isomorphism and solid solution as shown by an accurate high-resolution diffraction experiment

A. Poulain, M. Kubicki and C. Lecomte

Synopsis: High-resolution crystal structure determination and refinement of 1-(4'-chlorophenyl)-2-methyl-4-nitro-1H-imidazole-5-carbonitrile revealed the presence of 2.5% of its bromine derivative, which would not be found using standard resolution data (ca 0.8 Å), as disorder was visible only at high resolution.

Accepted 24 September 2014

Structure, hydrogen bonding and thermal expansion of ammonium carbonate monohydrate

A. D. Fortes, I. G. Wood, D. Alfè, E. R. Hernández, M. J. Gutmann and H. A. Sparkes

Synopsis: Single-crystal neutron diffraction, ab initio calculations and Raman spectroscopy are applied to understand the structure and hydrogen bonding of ammonium carbonate monohydrate, a hitherto poorly characterized substance, particularly in relation to other ammonium-bearing compounds.

Accepted 18 September 2014

Refinement of cronstedtite-1M

J. Hybler

Synopsis: The structure of an extremely rare 1M polytype of the 1:1 layer silicate cronstedtite from Eisleben (Saxony-Anhalt, Germany) was refined against a single-crystal X-ray data set. The deformation parameters of tetrahedral and octahedral sheets, arrangement of hydrogen bonds, stacking rule and desymmetrization are presented and discussed.

Accepted 21 August 2014

Unusual crystal structure of N-substituted maleamic acid - very strong effect of intramolecular hydrogen bonds

R. Francis, P. Raghavaiah and K. Pius

Synopsis: The contrasting behaviour of N-(carboxymethyl) maleamic acid and N-carbamyl maleamic acid under cyclodehydration conditions are discussed in the light of X-ray diffraction and modelling studies.

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