issue contents

Journal logoJOURNAL OF
ISSN: 1600-5767

June 1996 issue

Highlighted illustration

Cover illustration: Neutron scattering pattern in the (hk0) reciprocal-lattice plane from alpha-AgI at 520 K. The portion shown extends from 0 to 5.4 reciprocal-lattice units in both h and k. Courtesy of D. A. Keen, V. M. Nield and R. L. McGreevy.


J. Appl. Cryst. (1996). 29, 219-221
doi: 10.1107/S0021889896002890

research papers

J. Appl. Cryst. (1996). 29, 222-229
doi: 10.1107/S0021889895009745
link to html
Biaxial stress in the system of 100 nm-thick cosputtered MoSi2 films on silicon substrates has been investigated by the use of a double-crystal X-ray diffractometer for curvature measurements, diffractometry and topography. Bending of the blank wafer increases the stress and must always be taken into account.

J. Appl. Cryst. (1996). 29, 230-235
doi: 10.1107/S0021889895014439
link to html
A new four-crystal monochromator system is presented. A beam divergence of 0.011 mrad and a wavelength dispersion of 4 × 10-5 are given as the best monochromator performances.

J. Appl. Cryst. (1996). 29, 236-240
doi: 10.1107/S0021889895014750
link to html
A set of Excel 4.0 macros is used to prepare and analyse protein crystallization experiments. A crystallization robot controlled by macros is also described.

J. Appl. Cryst. (1996). 29, 241-245
doi: 10.1107/S0021889895015354

J. Appl. Cryst. (1996). 29, 246-260
doi: 10.1107/S0021889896000659
link to html
Time-resolved Laue diffraction images obtained during relaxation of photoactive yellow protein from its photostationary state have been integrated by an analytical profile-fitting technique. Good-quality difference Fourier maps are obtained and the optimum strategies for data acquisition and analysis are identified.

J. Appl. Cryst. (1996). 29, 261-264
doi: 10.1107/S0021889896000180
link to html
A three-temperature diffraction experiment was carried out in order to clarify the adamantyl disorder in a small molecule. The disorder appears to be dynamical with an energy barrier that cannot be crossed below 150 K. Image-plate data were used throughout and provided an excellent data set for accurate refinement.

J. Appl. Cryst. (1996). 29, 265-269
doi: 10.1107/S0021889895015664
link to html
A synchrotron X-ray powder diffraction investigation of the β-to-γ and the γ-to-α phase transitions in KNO3 is presented.

J. Appl. Cryst. (1996). 29, 270-278
doi: 10.1107/S0021889895015676
link to html
A semi-automatic method, based on the recognition of conics by a plane-search algorithm in reciprocal space, is presented for the indexing of the Laue diffraction pattern.

J. Appl. Cryst. (1996). 29, 279-284
doi: 10.1107/S0021889896000283
link to html
Periodic domain inversion in an electric-field poled LiNbO3 crystal has been studied using high-resolution multiple-crystal multiple-reflection diffraction topography.

J. Appl. Cryst. (1996). 29, 285-290
doi: 10.1107/S0021889896000908
link to html
A reverse Monte Carlo algorithm for the analysis of powder diffraction data is presented, which models Bragg scattering as well as diffuse scattering.

teaching and education

J. Appl. Cryst. (1996). 29, 291-295
doi: 10.1107/S0021889896000647
link to html
The ACA'95 meeting was scheduled using a novel method for numerical minimization of conflicts between sessions, from the results of an e-mail poll of crystallographers about the session topics they most wished to attend. The meeting went pretty much according to the forecast from the poll, with just a few explainable surprises.

short communications

J. Appl. Cryst. (1996). 29, 296-300
doi: 10.1107/S0021889896000672
link to html
Ten examples of crystal structures are considered to show how the PARST program works when it compares atomic sets in the search for lost symmetries.

computer programs

J. Appl. Cryst. (1996). 29, 301-303
doi: 10.1107/S0021889895014920
link to html
The program represents the crystal structure and the corresponding powder pattern simultaneously. Translations and rotations of a preselected part of the asymmetric unit realize a simple manipulation of the structure.

computer program abstracts

J. Appl. Cryst. (1996). 29, 304
doi: 10.1107/S0021889895014993
link to html
A new version of MS-DOS program AXES for X-ray powder diffraction analysis is presented, including graphics facilities and dialogues for editing the initial data and parameters necessary for the Rietveld program FULLPROF.

J. Appl. Cryst. (1996). 29, 304-305
doi: 10.1107/S0021889895016323
link to html
Optical activity in specified crystallographic directions, main refractive indices and other optical properties are calculated from crystal data using a dipole–dipole interaction model.

J. Appl. Cryst. (1996). 29, 305-306
doi: 10.1107/S0021889895015081
link to html
A system for various crystal structure geometry calculations with some new measures of the regularity of atomic coordinations is presented.

J. Appl. Cryst. (1996). 29, 306
doi: 10.1107/S0021889895016311
link to html
A PC program is presented that makes space-group determination convenient and systematic.

J. Appl. Cryst. (1996). 29, 306-307
doi: 10.1107/S0021889896002221
link to html
A software package for PCs is presented that calculates and plots stereograms for arbitrary orientations.


J. Appl. Cryst. (1996). 29, 307
doi: 10.1107/S0021889896004748

new commercial products

J. Appl. Cryst. (1996). 29, 307-308
doi: 10.1107/S0021889896099633
Follow J. Appl. Cryst.
Sign up for e-alerts
Follow J. Appl. Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds