issue contents

Journal logoJOURNAL OF
ISSN: 1600-5767

June 2003 issue

Highlighted illustration

Cover illustration: Protein crystals in a 2 µl gelled microbatch drop dispensed automatically under oil. Courtesy of A. Moreno, E. Saridakis & N. E. Chayen [J. Appl. Cryst. (2002), 35, 140-142].

research papers

J. Appl. Cryst. (2003). 36, 869-879
doi: 10.1107/S0021889803002486
link to html
X-ray diffraction is a powerful non-destructive and phase-selective technique allowing the determination of both the mechanical and microstructural state of the diffracting phases in thin films and multilayers. Combining X-ray diffraction with in situ tensile testing, it is also possible to measure the intragranular elastic constants of each phase.

J. Appl. Cryst. (2003). 36, 880-889
doi: 10.1107/S002188980300270X
link to html
Structural and microstructural analyses associated with dielectric measurements bring to light original correlations between cationic disorder on Bi and Sr sites, microstrains and dielectric response in the ferroelectrics of the series Sr1−xBi2+xTa2O9.

J. Appl. Cryst. (2003). 36, 890-897
doi: 10.1107/S0021889803003145
link to html
A quantitative basis for the rocking-curve measurement of the preferred orientation in polycrystalline thin films is presented. A depth-dependent preferred orientation distribution in AlN thin films was revealed, and a very small degree of preferred orientation in Au thin films could also be measured.

J. Appl. Cryst. (2003). 36, 898-905
doi: 10.1107/S0021889803003236
link to html
The quantitative interpretation of 00l reflections enabled the determination of the number of intercalated water molecules, their positions and the stacking mode of the clay layers along the normal to the (a,b) plane, while the study of the hkl reflections with h and/or k ≠ 0 enabled the characterization of the structural evolution in the (a,b) plane of the hydrated kaolinite during dehydration. This study has shown that the association of the SAXS and XRD results allows one to describe the structure and the distribution of the number of layers per particle during dehydration.

J. Appl. Cryst. (2003). 36, 906-913
doi: 10.1107/S0021889803004655
link to html
A procedure for the systematic decomposition of groups of severely overlapping reflections in a powder pattern is described and experimentally tested.

J. Appl. Cryst. (2003). 36, 914-919
doi: 10.1107/S002188980300476X
link to html
Simultaneous measurements of optical retardation and orientation of the optical indicatrix resulting from the birefringence have been made on K2Mn2(SO4)3 (KMS) crystals. Birefringence images of the phase transition using the rotating-polarizer method clearly show the domain behaviour during temperature changes, especially during a phase transition.

J. Appl. Cryst. (2003). 36, 920-925
doi: 10.1107/S0021889803005375
link to html
Bulk- and nanocrystalline GaN have been studied by high-pressure energy-dispersive X-ray diffraction. Pressure-induced structural phase transitions from the wurtzite to the NaCl phase were observed in both materials.

J. Appl. Cryst. (2003). 36, 926-930
doi: 10.1107/S0021889803006757
link to html
The addition of a surface profile to a powder has been shown to ameliorate the issue of intensity fade with double Göbel mirrors where large sample displacements occur. Measurements have been taken both at high temperature and with precisely controlled displacements at room temperature to quantify the effect of a contoured surface.

J. Appl. Cryst. (2003). 36, 931-939
doi: 10.1107/S0021889803008434
link to html
Diffraction data collected on tetrafluoroterephthalonitrile with a Nonius KappaCCD diffractometer using different experimental parameters were analysed to find the optimal experimental conditions. These results were employed in the measurement of a data set for a charge density study.

computer programs

J. Appl. Cryst. (2003). 36, 940-943
doi: 10.1107/S0021889803002875
link to html
A computer program which calculates accurate inelastic scattering channelling maps is presented.

J. Appl. Cryst. (2003). 36, 944-947
doi: 10.1107/S0021889803006721
link to html
A modification of MolScript is presented that includes several new molecular graphic features and adds `persistence of vision' ray-tracing support.

laboratory notes

J. Appl. Cryst. (2003). 36, 948-949
doi: 10.1107/S0021889803004333
link to html
This note describes how the kinetics of powder reactions in percolating solution can be studied by X-ray diffraction using a wet-cell flow-through reaction chamber.

J. Appl. Cryst. (2003). 36, 950
doi: 10.1107/S0021889803006708
link to html
An air cooler is presented for regulation and simultaneous crystallization tests at different temperature gradients and crystallization rate intervals, with the purpose of obtaining crystals.

computer program abstracts

J. Appl. Cryst. (2003). 36, 951-952
doi: 10.1107/S0021889803005946
link to html
The program INVARIANTS, which aims to generate symmetry-allowed invariants associated with a given high-symmetry group H and the primary order parameter, along with invariants and coupling polynomials of the secondary order parameters, is described.

J. Appl. Cryst. (2003). 36, 953-954
doi: 10.1107/S0021889803003212
link to html
For a given group–subgroup pair of space groups, SYMMODES constructs the graph of maximal subgroups relating the two groups and calculates the corresponding symmetry modes.

J. Appl. Cryst. (2003). 36, 955
doi: 10.1107/S0021889803003704

J. Appl. Cryst. (2003). 36, 956
doi: 10.1107/S0021889803007933
link to html
A computer program for the simulation of selected-area and precession electron diffraction patterns is presented.


J. Appl. Cryst. (2003). 36, 957
doi: 10.1107/S0021889803004394

book reviews

J. Appl. Cryst. (2003). 36, 958
doi: 10.1107/S0021889803004230

Follow J. Appl. Cryst.
Sign up for e-alerts
Follow J. Appl. Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds