Journal of Applied Crystallography

Volume 28, Part 2 (April 1995)

Cover illustration Cover illustration: The observed X-ray diffuse scattering in the (h0l) section of 1,3-dibromo-2,5-diethyl-4,6-dimethylbenzene. Courtesy of T. R. Welberry and B. D. Butler.

research papers

pdf version buy article online

J. Appl. Cryst. (1995). 28, 69-77    [doi:10.1107/S0021889894008812]

The Number of Reflections of a Neutron Beam Transmitted by a Capillary Fiber

D. F. R. Mildner, V. A. Sharov and H. Chen

Synopsis: An approximation is found for the number of reflections for trajectories that are transmitted by a cylindrical channel illuminated by a beam with a square angular divergence from a rectangular neutron guide. The results are compared with those for a numerical simulation.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 78-85    [doi:10.1107/S0021889894009222]

Determination of the Gyration Tensor Components of Ammonium Rochelle Salt

Z. Brozek, K. Stadnicka, R. J. Lingard and A. M. Glazer

Synopsis: The gyration components of ammonium Rochelle salt are measured using a universal polarimeter. The dispersion of the gyration is given over the wavelength range 350-650 nm.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 86-95    [doi:10.1107/S0021889894009696]

The `Seed-Skewness' Method for Integration of Peaks on Imaging Plates

R. Bolotovsky, M. A. White, A. Darovsky and P. Coppens

Synopsis: A new procedure is described for the integration of diffraction peaks on imaging plates. The new `seed-skewness' method is shown to lead to more reliable intensities, especially for the weaker reflections.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 96-104    [doi:10.1107/S0021889894009714]

Structural Study of Crystalline Approximants of the Al-Cu-Fe-Cr Decagonal Quasicrystal

X. Z. Li, C. Dong and J. M. Dubois

Synopsis: The crystal structure of an approximant quasicrystal with a giant unit cell is refined.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 105-114    [doi:10.1107/S0021889894010095]

Instrumental Smearing Effects in Radially Symmetric Small-Angle Neutron Scattering by Numerical and Analytical Methods

J. G. Barker and J. S. Pedersen

Synopsis: Numerical and analytical methods are used for determining the resolution function for small-angle neutron scattering. Effects of beam-stop shadowing are also considered.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 115-120    [doi:10.1107/S002188989401037X]

X-ray Rietveld Analysis with a Physically Based Background

P. Riello, G. Fagherazzi, D. Clemente and P. Canton

Synopsis: A Rietveld X-ray analysis is developed where the background scattering is described with equations based on physical principles.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 121-126    [doi:10.1107/S0021889894010381]

Determining the Degree of Crystallinity in Semicrystalline Materials by means of the Rietveld Analysis

P. Riello, G. Fagherazzi, P. Canton, D. Clemente and M. Signoretto

Synopsis: The degree of crystallinity in semicrystalline materials has been determined with a Rietveld analysis with an internal approach based on Rietveld's method.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 127-140    [doi:10.1107/S0021889894010629]

Preferred-Orientation Correction and Normalization Procedure for Ab Initio Structure Determination from Powder Data

R. Peschar, H. Schenk and P. Capková

Synopsis: A preferred-orientation analysis for powder diffraction data is proposed based on an extension of the Wilson-plot intensity analysis in order to correct integrated intensities for structure determination.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 141-145    [doi:10.1107/S0021889894010113]

Vacancy Ordering in [gamma]-Fe2O3: Synchrotron X-ray Powder Diffraction and High-Resolution Electron Microscopy Studies

A. N. Shmakov, G. N. Kryukova, S. V. Tsybulya, A. L. Chuvilin and L. P. Solovyeva

Synopsis: The structure refinement and estimation of various models of vacancy ordering in [gamma]-Fe2O3 were performed. Attention is paid to the superstructure orientation with respect to well developed planes of microcrystals that depend on the precursor.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 146-159    [doi:10.1107/S0021889894009027]

A Monte Carlo Estimate of Crystallite-Size and Microstrain Distribution Functions from X-ray Line Broadening

P. E. Di Nunzio, S. Martelli and R. Ricci Bitti

Synopsis: The method described, based on the `column-like' crystal model, can be applied to both single-and multiple-order reflections. The experimental diffraction peak is fitted by a sum of elementary components represented by interference functions.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 160-167    [doi:10.1107/S0021889894010071]

Structural Parameters of Multilayers from X-ray Reflectivity: an Easy-to-Handle Approach

M. Manciu, L. Dudas, C. Sürgers and R. Manaila

Synopsis: An analytical approximation is derived for easy calculation of the X-ray reflectivity pattern in low-reflectance multilayers. It allows the identification of pattern features most sensitive to certain structural parameters (average layer thicknesses and external and internal roughness).

pdf version buy article online

J. Appl. Cryst. (1995). 28, 168-188    [doi:10.1107/S0021889894010083]

An X-ray Topographic Study of the Paraelectric-to-Ferroelectric Phase Transformation in Nearly Perfect Single Crystals of Ammonium Sulfate

H. L. Bhat, H. Klapper and K. J. Roberts

Synopsis: X-ray topographic methods are used to examine the influence of the paraelectric-to-ferroelectric phase transformation on the crystal perfection of single crystals of ammonium sulfate.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 189-195    [doi:10.1107/S0021889894010149]

Determination of Liquid Structures of the Primary Alcohols Methanol, Ethanol, 1-Propanol, 1-Butanol and 1-Octanol by X-ray Scattering

K. S. Vahvaselkä, R. Serimaa and M. Torkkeli

Synopsis: X-ray scattering intensities of the primary alcohols were measured with transmission and reflection methods. The radial distribution functions were calculated and a fitting procedure was used to obtain individual atomic distances and coordination numbers.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 196-205    [doi:10.1107/S0021889894007867]

A Large-Format High-Resolution Area X-ray Detector Based on a Fiber-Optically Bonded Charge-Coupled Device (CCD)

M. W. Tate, E. F. Eikenberry, S. L. Barna, M. E. Wall, J. L. Lowrance and S. M. Gruner

Synopsis: An efficient two-dimensional X-ray detector based on direct imaging of an X-ray-sensitive phosphor with a high-resolution (1024 × 1024) charge-coupled device (CCD) array has been constructed and characterized. High detective quantum efficiency is obtained without an intensification stage.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 206-208    [doi:10.1107/S0021889894011015]

Re-investigation of Yttria-Tetragonal Zirconia Polycrystal (Y-TZP) by Neutron Powder Diffraction - a Cautionary Tale

D. N. Argyriou and C. J. Howard

Synopsis: Yttria-tetragonal zirconia polycrystal (Y-TZP), which has sometimes been assumed to be single-phase tetragonal, is shown to contain substantial (10-20%) quantities of cubic zirconia as the phase diagram predicts. The conclusions from previous studies have been examined in the light of this result.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 209-222    [doi:10.1107/S0021889894010617]

The Three-Dimensional Resolution Function for Small-Angle Scattering and Laue Geometries

P. Harris, B. Lebech and J. S. Pedersen

Synopsis: An analytical calculation of the three-dimensional resolution function for a small-angle neutron scattering set-up has been performed by application of phase-space analysis and Gaussian approximations.

teaching and education in crystallography

pdf version free

J. Appl. Cryst. (1995). 28, 223    [doi:10.1107/S0021889894010137]

Three-dimensional periodicity and inversion axes in crystals

B. D. Sharma

Synopsis: A rigorous proof of restrictions on rotation, inversion and roto-reflection axes in crystals in three dimensions is presented using transformation matrices, also that the traces of similar matrices are identical.

short communications

pdf version buy article online

J. Appl. Cryst. (1995). 28, 224-225    [doi:10.1107/S0021889894010125]

A novel device for the recovery of frozen crystals

F. Mancia, C. Oubridge, C. Hellon, T. Woollard, J. Groves and K. Nagai

Synopsis: A device is described that is useful for the recovery and re-exposure of frozen crystals and for data collection from frozen crystals at different orientations.

computer programs

pdf version buy article online

J. Appl. Cryst. (1995). 28, 225-227    [doi:10.1107/S002188989401277X]

DS - a 3D graphics simulation program for single-crystal diffractometry

C. Zheng, M. Yao and I. Tanaka

Synopsis: A brief description of a 3D graphics simulation program for single-crystal diffractometry is presented. The program displays both [chi]- and [kappa]-type diffractometers with a zero-dimensional (conventional) counter or a two-dimensional area detector and simulates the process of data collection.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 228-236    [doi:10.1107/S002188989400991X]

LAUEGEN, an X-windows-based program for the processing of Laue diffraction data

J. W. Campbell

Synopsis: LAUEGEN is an X-windows-based program for carrying out the initial data-processing stages for Laue X-ray diffraction data. It has facilities for Laue simulations, image display and crystal orientation determination and refinement.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 236-242    [doi:10.1107/S0021889894009908]

XDL VIEW, an X-windows-based toolkit for crystallographic and other applications

J. W. Campbell

Synopsis: XDL_VIEW is an easy-to-use X-windows-based toolkit for crystallographic and more general applications. It has interfaces for both Fortran and C.

laboratory notes

pdf version buy article online

J. Appl. Cryst. (1995). 28, 242-243    [doi:10.1107/S0021889894011891]

The multi-drop approach: more efficient screening of crystallization conditions

C. M. Bruns and P. A. Karplus

Synopsis: A simple innovation that allows convenient parallel crystallization trials of multiple samples using hanging drops is described.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 243    [doi:10.1107/S0021889894012653]

A helium-flushed beam tunnel

S. Parkin and B. Rupp

Synopsis: A modification to a standard X-ray beam tunnel that eliminates absorption of X-rays by air is described.

computer program abstracts

pdf version buy article online

J. Appl. Cryst. (1995). 28, 244    [doi:10.1107/S0021889894013397]

FHKL - a program to compute rocking curves and crystallographic data of interest for the dynamical theory of X-rays

A. Soyer

Synopsis: FHKL is a menu-driven X-windows program to compute structure factors, dielectric susceptibilities, absorption coefficients and crystal rocking curves, taking into account dispersion corrections, thermal agitation and polarization.

pdf version buy article online

J. Appl. Cryst. (1995). 28, 244-245    [doi:10.1107/S0021889894014172]

BREADTH - a program for analyzing diffraction line broadening

D. Balzar

Synopsis: The program BREADTH calculates coherent domain sizes and lattice strains according to the `simplified' and `double-Voigt' integral-breadth methods.


pdf version free

J. Appl. Cryst. (1995). 28, 245-246    [doi:10.1107/S0021889895000999]


new commercial products

pdf version free

J. Appl. Cryst. (1995). 28, 246    [doi:10.1107/S0021889895099626]

New Commercial Products

books received

pdf version free

J. Appl. Cryst. (1995). 28, 246    [doi:10.1107/S0021889895099614]

Modern crystallography, Vol. 1, Fundamentals of crystals. Symmetry, and methods of structural crystallography by B. K. Vainshtein

pdf version free

J. Appl. Cryst. (1995). 28, 246    [doi:10.1107/S0021889895099602]

Crystallographic computing 6. A window on modern crystallography. (IUCr Crystallographic Symposia No. 6) edited by H. D. Flack, L. Párkányi and K. Simon

Copyright © International Union of Crystallography
IUCr Webmaster