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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]. |
Acta Cryst. (2006). A62, 413-418 [ doi:10.1107/S0108767306028704 ]
Synopsis: 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.
Online 21 October 2006
Acta Cryst. (2006). A62, 419-433 [ doi:10.1107/S0108767306030091 ]
Synopsis: 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.
Online 21 October 2006
Acta Cryst. (2006). A62, 434-443 [ doi:10.1107/S0108767306032892 ]
Synopsis: 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.
Online 21 October 2006
Acta Cryst. (2006). A62, 444-453 [ doi:10.1107/S0108767306034635 ]
Synopsis: The finite size effects of nanoparticles on the atomic pair distribution function (PDF) are calculated; these are essential to the structural analysis of nanoparticles.
Online 21 October 2006
Acta Cryst. (2006). A62, 454-458 [ doi:10.1107/S010876730603604X ]
Synopsis: 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.
Online 21 October 2006
Acta Cryst. (2006). A62, 459-462 [ doi:10.1107/S010876730603889X ]
Synopsis: 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.
Online 21 October 2006
Acta Cryst. (2006). A62, 463-464 [ doi:10.1107/S0108767306023348 ]
Online 21 October 2006
Acta Cryst. (2006). A62, 464 [ doi:10.1107/S010876730602616X ]
Online 21 October 2006
Acta Cryst. (2006). A62, 465-526 [ doi:10.1107/S010876730603279X ]
Online 21 October 2006
Acta Cryst. (2006). A62, 527-528 [ doi:10.1107/S010876730604298X ]
Online 21 October 2006
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