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Cover illustration: A high-angle annular darkfield scanning transmission electron microscopy image of the decagonal quasicrystal Al72Co8Ni20 overlaid with a structure model. Clusters of type 1 (occupied center) highlight transition metal sites (white spheres) and clusters of type 2 (empty center) possess both transition metal and mixed aluminum/transition metal (red) sites. Decagonal-shaped clusters are outlined and exhibit two types of overlap as a unifying building feature of aperiodic quasicrystals of decagonal Al-Co-Ni, Al-Co-Cu and Al-Fe-Ni [Deloudi et al. (2011). Acta Cryst. B67, 1-17, based on Abe & Tsai (2004) J. Non-Cryst. Solids, 334, 198-201]. The 2011 Nobel prize in chemistry was awarded to D. Shechtman for his discovery of quasicrystals. |
 | Acta Cryst. (2012). B68, 215-226 [ doi:10.1107/S0108768112017466 ] Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applicationsQ. Zhu, A. R. Oganov, C. W. Glass and H. T. StokesSynopsis: A specially designed algorithm to predict the structure of complex crystals consisting of well defined molecular units is presented. Online 17 May 2012 |
 | Acta Cryst. (2012). B68, 227-239 [ doi:10.1107/S010876811201419X ] Structural chemistry of A2MX4 compounds (X = O, F) with isolated tetrahedral anions: search for the densest structure typesV. Nalbandyan and A. NovikovaSynopsis: In three of the nine morphotropic A2MX4 series (nine different tetrahedral anions) the densest structure (spinel) is the stable structure for compounds with A cations of intermediate radius, in contrast to the classical homology rule. In some cases, denser phases have abnormally low overall binding energies. Online 17 May 2012 |
 | Acta Cryst. (2012). B68, 240-249 [ doi:10.1107/S0108768112008038 ] Helical screw type magnetic structure of the multiferroic CaMn7O12 with low Cu-dopingW. Slawinski, R. Przenioslo, I. Sosnowska and V. PetrícekSynopsis: The modulated crystal structure and modulated magnetic ordering of the multiferroic CaCuxMn7-xO12 is studied by analysing neutron and synchrotron-radiation powder diffraction data with a model based on the magnetic superspace group R31'(00 B-IncStrDB reference: 6302EkCcoh Online 4 May 2012 |
 | Acta Cryst. (2012). B68, 250-260 [ doi:10.1107/S0108768112016084 ] Structure of (Ga2O3)2(ZnO)13 and a unified description of the homologous series (Ga2O3)2(ZnO)2n + 1Y. Michiue, N. Kimizuka, Y. Kanke and T. MoriSynopsis: The structure of (Ga2O3)2(ZnO)13 has been determined and a unified description for structures in a homologous series (Ga2O3)2(ZnO)2n + 1 is presented using the (3 + 1)-dimensional superspace formalism. B-IncStrDB reference: 6272EzStLP Online 17 May 2012 |
 | Acta Cryst. (2012). B68, 261-265 [ doi:10.1107/S0108768112012281 ] Parallel stacking interactions in square-planar transition-metal complexes containing fused chelate and C6-aromatic ringsD. N. Sredojevic, D. Z. Vojislavljevic, Z. D. Tomic and S. D. ZaricSynopsis: The study of C6-arom-chelate versus C6-arom-C6-arom stacking interactions in the crystal structures of square-planar transition metal complexes showed that the C6-arom ring prefers to form stacking contacts with the chelate rings. Online 4 May 2012 |
 | Acta Cryst. (2012). B68, 266-274 [ doi:10.1107/S0108768112011226 ] Phase transition at high pressure in Cu2CO3(OH)2 related to the reduction of the Jahn-Teller effectM. Merlini, N. Perchiazzi, M. Hanfland and A. BossakSynopsis: Malachite, Cu2CO3(OH)2, transforms directly into a rosasite structure at high pressure as a result of the pressure-induced reduction of the Jahn-Teller distortion of CuO6 coordination polyhedra. Online 4 May 2012 |
 | Acta Cryst. (2012). B68, 275-286 [ doi:10.1107/S0108768112015960 ] Effect of pressure on crystalline L- and DL-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy studyB. A. Zakharov, B. A. Kolesov and E. V. BoldyrevaSynopsis: Information on the effect of pressure on hydrogen bonds, which could be derived from single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy, has been compared. Online 17 May 2012 |
 | Acta Cryst. (2012). B68, 287-296 [ doi:10.1107/S0108768112015972 ] Low-temperature phase transition in glycine-glutaric acid co-crystals studied by single-crystal X-ray diffraction, Raman spectroscopy and differential scanning calorimetryB. A. Zakharov, E. A. Losev, B. A. Kolesov, V. A. Drebushchak and E. V. BoldyrevaSynopsis: A low-temperature reversible phase transition at 220-230 K in glycine-glutaric acid co-crystals changes the conformation of every second glutaric acid molecule, but preserves the topology of the hydrogen-bond network, despite changes to the hydrogen-bond lengths and the space-group symmetry. Online 17 May 2012 |
 | Acta Cryst. (2012). B68, 297-304 [ doi:10.1107/S0108768112010993 ] Relation between photochromic properties and molecular structures in salicylideneaniline crystalsK. Johmoto, T. Ishida, A. Sekine, H. Uekusa and Y. OhashiSynopsis: Salicylideneaniline crystals exhibit photochromism under the following conditions: the dihedral angle between the two terminal benzene rings is greater than 30° and there is no intra- or intermolecular steric hindrance to inhibit a pedal motion within the crystal. Online 4 May 2012 |
 | Acta Cryst. (2012). B68, 305-312 [ doi:10.1107/S0108768112014711 ] Voronoi-Dirichlet tesselation as a tool for investigation of polymorphism in molecular crystals with CwHxNyOz composition and photochromic propertiesV. N. Serezhkin, L. B. Serezhkina and A. V. VologzhaninaSynopsis: A relationship between photochromism and non-bonded interactions was investigated with the Voronoi-Dirichlet approach. Crystal structures of five sets of conformational polymorphs with the CwHxNyOz composition have been taken into account. It was demonstrated that each polymorph is characterized by a unique set of inter- and intramolecular contacts. Online 17 May 2012 |
 | Acta Cryst. (2012). B68, 313-317 [ doi:10.1107/S0108768112017831 ] Invariom modeling of ceftazidime pentahydrate: molecular properties from a 200 second synchrotron microcrystal experimentC. J. Schürmann, K. Pröpper, T. Wagner and B. DittrichSynopsis: The structure of ceftadizime pentahydrate was determined from a 200 s experiment with synchrotron radiation. Combined with invariom refinement for rapid property calculation, high-throughput electron-density studies of hundreds of compounds become feasible. Online 17 May 2012 |
Acta Cryst. (2012). B68, 318-320 [ doi:10.1107/S0108768112020289 ] Exact solution of the bond-valence sum rule for a set of coordination shellsV. SideySynopsis: The calculation scheme for determining the bond-valence parameters (r0 and b) resulting in the exact solution of the bond-valence sum rule for a given set of coordination shells is presented. Online 17 May 2012 |
 | Acta Cryst. (2012). B68, 321 [ doi:10.1107/S0108768112018551 ] Symmetriebeziehungen zwischen verwandten KristallstrukturenOnline 17 May 2012 |
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