Foundations of Crystallography

 

Acta Cryst. (2006). A62, 233-236  [ doi:10.1107/S0108767306011974 ]

Extended dynamical HAADF STEM image simulation using the Bloch-wave method

T. Yamazaki, K. Watanabe, K. Kuramochi and I. Hashimoto

Synopsis: An approach for obtaining precise simulations of HAADF STEM images for elements with large atomic numbers and thick specimens is proposed. The method utilizes two types of optical potential to describe the thermal diffuse scattering from a crystal that is represented by multiple layers. The validity of the method is demonstrated for elements with the diamond structure (Si, Ge and -Sn) and for the perovskite BaTiO₃.

Online 21 June 2006

 

Acta Cryst. (2006). A62, 237-247  [ doi:10.1107/S0108767306015443 ]

Polarization-dependent six-beam X-ray pinhole topographs

K. Okitsu, Y. Yoda, Y. Imai, Y. Ueji, Y. Urano and X. Zhang

Synopsis: Six-beam pinhole topographs of a floating-zone silicon crystal were experimentally obtained with the incidence of synchrotron X-rays whose polarization state was controlled using an X-ray phase-retarder system which can generate an arbitrary state of polarization. The topographs agreed quantitatively with computer-simulated images based on an n-beam Takagi-Taupin equation for which the derivation procedure is described in detail.

Online 21 June 2006

 

Acta Cryst. (2006). A62, 248-261  [ doi:10.1107/S0108767306016515 ]

Reconstruction of a yeast cell from X-ray diffraction data

P. Thibault, V. Elser, C. Jacobsen, D. Shapiro and D. Sayre

Synopsis: Details of the algorithm used in the reconstruction of a yeast cell image are given.

Online 21 June 2006

 

Acta Cryst. (2006). A62, 262-269  [ doi:10.1107/S0108767306017478 ]

Calculation of spherical harmonics and Wigner d functions by FFT. Applications to fast rotational matching in molecular replacement and implementation into AMoRe

S. Trapani and J. Navaza

Synopsis: Extension of FFT methods to all angular variables in AMoRe permits accurate and faster calculations of the rotation function at high angular resolution.

Online 21 June 2006

 

Acta Cryst. (2006). A62, 270-286  [ doi:10.1107/S010876730601748X ]

Crystallographic structural organization of human rhinovirus serotype 16, 14, 3, 2 and 1A

A. Janner

Synopsis: The capsid of the icosahedral virion is encapsulated between two polyhedra scaled according to the golden mean, each being composed of an icosahedron and a dodecahedron. Structural units of the coat proteins are enclosed into forms whose projections along the icosahedral symmetry axes obey the crystallographic law of rational indices.

Online 21 June 2006

 

Acta Cryst. (2006). A62, 287-295  [ doi:10.1107/S0108767306018101 ]

The formation of low-dimensional metal trihalide crystals in carbon nanotubes

M. Wilson and S. Friedrichs

Synopsis: An MX₃ stoichiometry salt, LaCl₃, is shown to fill carbon nanotubes, of varying diameter, via molecular dynamics computer simulations to produce low-dimension crystals. The filled crystal structures allow a full atomistic comparison to be made with experimental high-resolution transmission electron micrographs, and the emergence of new, non-bulk, crystal structures is predicted.

Online 21 June 2006

 

Acta Cryst. (2006). A62, 296-308  [ doi:10.1107/S0108767306017843 ]

On qualitative and quantitative analysis in analyser-based imaging

Ya. I. Nesterets, P. Coan, T. E. Gureyev, A. Bravin, P. Cloetens and S. W. Wilkins

Synopsis: Combined analyser-based/propagation-based X-ray phase-contrast image formation and phase/amplitude reconstruction are re-examined and extended using rigorous wave-optical formalism. The derived algorithms are applied for quantitative analysis of simulated and experimental phase-contrast images.

Online 21 June 2006

 

Acta Cryst. (2006). A62, 309-315  [ doi:10.1107/S0108767306021295 ]

Fitting valence charge densities at a crystal surface

L. D. Marks, J. Ciston, B. Deng and A. Subramanian

Synopsis: A method is reported for the parameterization of bulk charge density exploiting density functional calculations which can be used to generate an improvement over a neutral atom model.

Online 21 June 2006

 

Acta Cryst. (2006). A62, 316-318  [ doi:10.1107/S0108767306012001 ]

International tables for crystallography, Vol. D: Physical properties of crystals

Online 21 June 2006

 

Acta Cryst. (2006). A62, 318  [ doi:10.1107/S0108767306014826 ]

Cristallographie

Online 21 June 2006

 

Acta Cryst. (2006). A62, 318  [ doi:10.1107/S0108767306014814 ]

Franz Ernst Neumann (1798-1895) Zum 200. Geburtstag des Mathematikers, Physikers und Kristallographen.

Online 21 June 2006