Foundations of Crystallography

 

Acta Cryst. (2006). A62, 147-151  [ doi:10.1107/S0108767306005563 ]

Robert Crispin Evans (1909-2005)

D. Cruickshank

Online 14 April 2006

 

Acta Cryst. (2006). A62, 152-167  [ doi:10.1107/S010876730600362X ]

Interpenetration of homogeneous sphere packings and of two-periodic layers of spheres

E. Koch, W. Fischer and H. Sowa

Synopsis: 74 types of interpenetrating sphere packings and 4 types of interpenetrating layers of spheres exist that occur with highest symmetry in the cubic, hexagonal or tetragonal crystal family. The patterns of the interpenetration are analysed.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 168-173  [ doi:10.1107/S0108767306005800 ]

Spectral decomposition of the linear elastic tensor for trigonal symmetry; classification of symmetry restrictions for arbitrary point groups

H. Grimmer

Synopsis: Eigenvalues and eigenvectors of the linear compliance tensor for trigonal symmetry have been expressed in terms of the seven parameters of the corresponding Voigt matrix; conditions on these parameters guaranteeing positive strain energy have been derived.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 174-177  [ doi:10.1107/S0108767306006623 ]

Multiple diffraction in the kinematical approach

E. Rossmanith

Synopsis: The expressions derived for the calculation of multiple diffraction patterns for a perfect crystal in the framework of the kinematical theory are compared with the relevant result of the kinematical power-transfer equation deduced for a mosaic crystal. Furthermore, it is shown that the interference term can be deduced from kinematical wavefields.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 178-194  [ doi:10.1107/S0108767306003126 ]

Enumeration of polytypes MX and MX₂ through the use of the symmetry of the Zhdanov symbol

J. E. Iglesias

Synopsis: The number of possible close-packed polytypes MX and MX₂ for repeat P have been calculated through elementary combinatorics for each possible space group.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 195-200  [ doi:10.1107/S0108767306008798 ]

Zhdanov's rules work both ways

J. E. Iglesias

Synopsis: The mapping between the possible space-group symmetry of a periodic stacking of layers of close-packed balls and the possible two-dimensional two-color point-group symmetry of the cyclical representation of its Zhdanov symbol is shown to be a bijection.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 201-207  [ doi:10.1107/S010876730600924X ]

Precise measurement of local strain fields with energy-unfiltered convergent-beam electron diffraction

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

Synopsis: Convergent-beam electron diffraction was employed to measure local strain on the nanometre scale in semiconductors. Radon transformation, the subtraction of background intensity, and analytical strain determination were used to overcome the challenges presented by energy-unfiltered CBED.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 208-216  [ doi:10.1107/S010876730601004X ]

Theoretical structure factors for selected oxides and their effects in high-resolution electron-microscope (HREM) images

B. Deng and L. D. Marks

Synopsis: Structure-factor (X-ray and electron) calculations and high-resolution electron-microscope image simulations are used to evaluate charge redistribution effects.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 217-223  [ doi:10.1107/S0108767306010336 ]

Invarioms for improved absolute structure determination of light-atom crystal structures

B. Dittrich, M. Strumpel, M. Schäfer, M. A. Spackman and T. Koritsánszky

Synopsis: The determination of molecular absolute configuration from an X-ray analysis of structures that contain only light elements can be difficult owing to the weak anomalous dispersion signal. It is shown that the invariom approach can improve the precision and standard uncertainty of the Flack x parameter and thus also the reliability of deducing the molecular chirality in an absolute structure determination.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 224-227  [ doi:10.1107/S0108767306003266 ]

Finding optimal radial-function parameters for S atoms in the Hansen-Coppens multipole model through refinement of theoretical densities

P. M. Dominiak and P. Coppens

Synopsis: The multipolar model of the valence-electron-density distribution for sulfur has been optimized based on theoretical structure factors for six organic molecules. It is shown that: (a) the ratio of the n(l) values for different l is more important than their absolute values, and (b) the (2,4,6,8) set of n(l) with ' refined as a single value is an optimal choice of radial function parameters for S atoms.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 228-229  [ doi:10.1107/S0108767306007641 ]

On a simple tiling of Deza and Shtogrin

O. Delgado-Friedrichs and M. O'Keeffe

Synopsis: Some properties of an exceptional simple tiling by fullerenes, first described by Deza and Shtogrin, are presented.

Online 14 April 2006

 

Acta Cryst. (2006). A62, 230-232  [ doi:10.1107/S0108767306006994 ]

On the symmetry of simple 16-hedra

Y. L. Voytekhovsky and D. G. Stepenshchikov

Synopsis: The symmetry point group statistics for all combinatorially non-isomorphic convex simple 16-hedra (17490241 in total) are contributed in the paper for the first time. The most symmetrical polyhedra with 6 to 56 automorphism group orders (165 in total) are drawn in Schlegel diagrams and characterized by facet symbols and symmetry point groups.

Online 14 April 2006