issue contents

ISSN: 2053-2733

November 2006 issue

Highlighted illustration

Cover illustration: Determination of a one-dimensional structure by the charge flipping algorithm. Bottom curves: grey is the initial electron density obtained with a random choice of structure-factor phases; white is the result of charge flipping, i.e. the sign of the density below a threshold is reversed. Top curves: electron density after convergence (blue) and its flipped counterpart (red). Only the three atomic regions correspond to the true structure, small oscillations do not. See Oszlányi & Süto [Acta Cryst. (2004), A60, 134-141; (2005), A61, 147-152].

research papers

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All homogeneous sphere packings were derived that refer to the invariant and univariant lattice complexes with orthorhombic symmetry. Examples of corresponding crystal structures are given.

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A special class of planar mathematical quasicrystals, i.e. the class of the so-called cyclotomic model sets, is introduced and the main algorithmic problems of the discrete tomography of these sets are discussed.

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A multislice method for simulating precession electron diffraction data is presented, and simulated data are compared to experimental data for two materials systems. Dynamical diffraction effects are present in precession data but are somewhat smaller and intensity ordering is better preserved than in conventional transmission electron diffraction. Some of the implications of precession for conventional direct methods are discussed.

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The finite size effects of nanoparticles on the atomic pair distribution function (PDF) are calculated; these are essential to the structural analysis of nanoparticles.

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Explicit formulas for the indices of certain coincidence isometries of the hypercubic lattice are obtained by analyzing the normal form of a rational orthogonal matrix.

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It has been possible to decide, by making use of multiple Bragg scattering, between two competing models for the d-electron density lobes in LaMnO3.

book reviews

Acta Cryst. (2006). A62, 464
doi: 10.1107/S010876730602616X

international union of crystallography

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