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.

On the structural relations of malachite. I. The rosasite and ludwigite structure families

F. Girgsdies and M. Behrens

Synopsis: The crystal structures of malachite and rosasite are shown to have a common hypothetical aristotype, which is in turn closely related to the ludwigite structure.

Structure of the inclusion complex of -cyclodextrin with lipoic acid from laboratory powder diffraction data

C.-P. Rácz, G. Borodi, M. M. Pop, I. Kacso, S. Sánta and M. Tomoaia-Cotisel

Synopsis: The crystal structure of the inclusion complex of -cyclodextrin with lipoic acid was determined from laboratory powder diffraction data.

Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data

T. E. Gorelik, J. van de Streek, A. F. M. Kilbinger, G. Brunklaus and U. Kolb

Detailed example of the identification and crystallographic analysis of a pseudo-merohedrally twinned crystal

I. Guzei, R. Herbst-Irmer, A. Munyaneza and J. Darkwa

Synopsis: A detailed description of the crystal structure solution and refinement of a pseudo-merohedrally twinned crystal of an organometallic complex is intended to serve as a guide for the handling of similar non-routine challenging crystal structures. The interpretation of the signs of twinning and the logic behind the selection of the correct space group are explained. In this case the crystal twinning was complicated by pseudo-symmetry of the ionic species and positional disorder of several atoms.

On the structural integrity of the spinel block in the "-alumina structure

D. P. Birnie

Geometry and conformation of cyclopropane derivatives having -acceptor and -donor substituents: a theoretical and crystal structure database study

A. J. Cruz-Cabeza and F. H. Allen

Synopsis: Bond-length asymmetry in cyclopropane rings carrying -acceptor or -donor substituents has been studied using density-functional theory calculations and analysis of crystal structures in the Cambridge Structural Database. Both methods are in excellent agreement and show that -accepting halogen substituents induce positive asymmetry, but that this effect is reversed for -donors such as SiH₃ or Si(CH₃)₃.

Incommensurate modulation of calcium barium niobate (CBN28 and Ce:CBN28)

H. A. Graetsch, C. S. Pandey, J. Schreuer, M. Burianek and M. Mühlberg

Synopsis: The occupancy of the largest cation site in incompletely filled tetragonal tungsten bronze type CBN28 (calcium barium niobate) is modulated. The occupational modulation is coupled with a modulation of the atomic displacement parameters. The surrounding O atoms are displacively modulated so that the corner-sharing NbO₆ octahedra are tilted.

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