Foundations of Crystallography

 

Acta Cryst. (2004). A60, 517-520  [ doi:10.1107/S0108767304015442 ]

Three-periodic nets and tilings: minimal nets

C. Bonneau, O. Delgado-Friedrichs, M. O'Keeffe and O. M. Yaghi

Synopsis: Eight minimal 3-periodic nets without collisions are identified and their natural tilings and duals are described.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 521-524  [ doi:10.1107/S0108767304016502 ]

Formation of X-ray shift fringes and a new method for determination of the difference sign of interplanar distances

H. R. Drmeyan

Synopsis: A detailed investigation of the conditions for the formation of X-ray shift fringes is carried out, aiming to apply these patterns to investigations of crystal imperfections.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 525-531  [ doi:10.1107/S0108767304016307 ]

Refinement of the crystal structural parameters of the intermediate phase of h-BaTiO₃ using convergent-beam electron diffraction

Y. Ogata, K. Tsuda, Y. Akishige and M. Tanaka

Synopsis: Crystal structural parameters (21 positional parameters and nine isotropic Debye-Waller factors) of the intermediate phase of hexagonal barium titanate (h-BaTiO) have been refined by a structure analysis method using convergent-beam electron diffraction (CBED).

Online 26 October 2004

 

Acta Cryst. (2004). A60, 532-541  [ doi:10.1107/S0108767304015326 ]

Interlacing of growth steps on crystal surfaces as a consequence of crystallographic symmetry

W. J. P. van Enckevort and P. Bennema

Synopsis: A general theory is developed to describe the phenomenon of step interlacing, i.e. the splitting of unit-cell-height steps into lower steps, on crystal surfaces in relation to crystallographic symmetry. The results are compared with growth step patterns on different kinds of crystals as reported in the literature.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 542-549  [ doi:10.1107/S0108767304017398 ]

Coordinate transformations in modern crystallographic computing

M. Rowicka, A. Kudlicki, J. Zelinka and Z. Otwinowski

Synopsis: A review of 4 × 4 matrix notation and of tensor formalism focused on crystallographic applications, including examples from crystallographic computing.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 550-561  [ doi:10.1107/S0108767304018306 ]

Modeling of the nuclear parameters for H atoms in X-ray charge-density studies

A. Ø Madsen, H. O. Sørensen, C. Flensburg, R. F. Stewart and S. Larsen

Synopsis: The use of isotropic displacement parameters for H atoms is shown to have a large impact on the static electron-density model of molecular crystals. A procedure to estimate anisotropic displacement parameters for H atoms in agreement with neutron diffraction parameters is developed and validated.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 562-564  [ doi:10.1107/S0108767304017404 ]

Precise analysis of the components of diffraction by cylindrical crystals

H.-C. Hu and Z. Yang

Synopsis: Various Laue and Bragg components of diffraction from cylindrical crystals, the dependence of these components on Bragg angle _B and on , and the related diffraction behaviors are analyzed quantitatively.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 565-581  [ doi:10.1107/S0108767304018550 ]

Effects of near-neighbor correlations on the diffuse scattering from a one-dimensional paracrystal

F. Leroy, R. Lazzari and G. Renaud

Synopsis: The diffuse scattering from a one-dimensional paracrystalline chain of scatterers with various types of correlations between their sizes and relative positions is studied. The encompassed couplings are the simplest ones: size-size, size-separation distance and size-separation distance fluctuation. This paper sheds light on the difficulty of applying simple approximations to a study on the scattering from disordered systems, in particular when correlations between scattering entities are involved.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 582-584  [ doi:10.1107/S0108767304018744 ]

On the real crystal rhombododecahedra

Y. L. Voytekhovsky and D. G. Stepenshchikov

Synopsis: All the real crystal rhombododecahedra (625 in total) are enumerated and characterized by facet symbols and symmetry point groups. Nine combinatorially different types are found among the garnets from Mt Makzapakhk, Kola Peninsula.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 585-590  [ doi:10.1107/S0108767304019567 ]

Three exit beams from a single (hkl) X-ray diffraction plane

E. M. Kakuno and C. Cusatis

Synopsis: A special case of three diffracted X-ray beams is reported.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 591-597  [ doi:10.1107/S0108767304020288 ]

Lattice imaging in low-angle and high-angle bright-field scanning transmission electron microscopy

K. Watanabe, Y. Kikuchi, T. Yamazaki, E. Asano, N. Nakanishi, Y. Kotaka, E. Okunishi and I. Hashimoto

Synopsis: Atomic resolution low-angle bright-field (LABF) scanning transmission electron-microscope (STEM) images and high-angle bright-field (HABF) STEM images of [011]-orientated Si have been experimentally obtained together with high-angle annular dark-field (HAADF) STEM images. The contrast formation mechanisms of the LABF STEM and HABF STEM images are examined in comparison with HAADF STEM images. The HABF STEM images independent of defocus and thickness have spatial resolution comparable with HAADF STEM images, and the images are shown to be given as a simple convolution under the non-dispersion approximation of localized Bloch waves.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 598-603  [ doi:10.1107/S0108767304022652 ]

High-q-resolution neutron scattering technique using triple-axis spectrometers

G. Xu, P. M. Gehring, V. J. Ghosh and G. Shirane

Synopsis: A new technique that gives a substantial increase in the wavevector q resolution of triple-axis spectrometers is introduced.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 604-610  [ doi:10.1107/S0108767304022433 ]

Ab initio determination of incommensurately modulated structures by charge flipping in superspace

L. Palatinus

Synopsis: The charge flipping algorithm is generalized to superspace. It allows for an ab inito solution of modulated structures directly in superspace.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 611-620  [ doi:10.1107/S0108767304022627 ]

Zones and sublattices of integral lattices

A. Janner

Synopsis: Zones and sublattices are derived for hexagonal lattices with axial ratios given by , , and 1 (the isometric case) and for the related and tetragonal lattices.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 621-636  [ doi:10.1107/S0108767304020173 ]

Molecular crystal global phase diagrams. I. Method of construction

J. A. Mettes, J. B. Keith and R. B. McClurg

Synopsis: A method for construction of molecular crystal global phase diagrams is described. The phase diagrams summarize phase behavior of molecules with a given molecular point-group symmetry. The method is illustrated for the tetrahedral point group T_d.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 637  [ doi:10.1107/S0108767304024845 ]

Space-group scanning tables

D. B. Litvin and V. Kopský

Synopsis: Space-group scanning tables not explicitly given in Volume E of International Tables for Crystallography are presented.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 638-639  [ doi:10.1107/S0108767304016496 ]

Response to the paper A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules, by Pichon-Pesme, Jelsch, Guillot & Lecomte (2004)

A. Volkov, T. Koritsanszky, X. Li and P. Coppens

Synopsis: Comment on Pichon-Pesme et al. [Acta Cryst. (2004), A60, 204-208].

Online 26 October 2004

 

Acta Cryst. (2004). A60, 640  [ doi:10.1107/S0108767304024730 ]

A strict solution for the optimal superimposition of protein structures. Retraction

C. Chen and Q. Li

Synopsis: The manuscript that appeared in Acta Cryst. (2004), A60, 201-203 is retracted.

Online 26 October 2004

 

Acta Cryst. (2004). A60, 641-642  [ doi:10.1107/S0108767304022536 ]

International tables for crystallography

Online 26 October 2004

 

Acta Cryst. (2004). A60, 642  [ doi:10.1107/S0108767304021695 ]

Orientations and rotations. Computations in crystallographic textures

Online 26 October 2004

 

Acta Cryst. (2004). A60, 642  [ doi:10.1107/S0108767304021701 ]

Crystal structure determination

Online 26 October 2004

 

Acta Cryst. (2004). A60, 642  [ doi:10.1107/S0108767304021713 ]

Mathematical techniques in crystallography and materials science

Online 26 October 2004

 

Acta Cryst. (2004). A60, 643-644  [ doi:10.1107/S0108767304024729 ]

Prices of IUCr journals

Online 26 October 2004