Journal of Applied Crystallography

Volume 32, Part 6 (December 1999)



[Issue Author Index][Volume Author Index]
[Cover illustration] Cover illustration: Simulated diffraction pattern for a two-dimensionally disordered decasil (porous SiO2) calculated using a fast recursive algorithm. The plane is perpendicular to c with the reciprocal index l = 1; the error probability is 0.5 and the intensities are scaled to 25% of the highest value. Courtesy of Peter Daniels.

research papers


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J. Appl. Cryst. (1999). 32, 1033-1038  [ doi:10.1107/S0021889899006755 ]

Scanning system for high-energy electron diffractometry

A. S. Avilov, A. K. Kuligin, U. Pietsch, J. C. H. Spence, V. G. Tsirelson and J. M. Zuo

Synopsis: A new electron diffractometer for precise measurement of diffraction patterns has been developed. The accuracy of the measurements was checked by a comparison with Hartree-Fock calculations.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1039-1049  [ doi:10.1107/S0021889899009887 ]

Study of the chemical dependence of the effective pair potentials of Co-Pt alloy

M. J. Capitan, S. Lefebvre, Y. Calvayrac, M. Bessiere and P. Cenedese

Synopsis: Effective pair interaction potentials of Co-Pt alloy have been obtained from X-ray diffuse scattering measurements on short-range ordered Co3Pt and Co65Pt35 single crystals.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1050-1059  [ doi:10.1107/S0021889899010237 ]

X-ray scattering by crystals with local lattice rotation fields

R. I. Barabash and P. Klimanek

Synopsis: Scattering intensity in the azimuthal plane for crystals with one and two sets of different-type dislocation walls, causing local rotations in the lattice, was analysed. The conditions necessary for the splitting of the reflection into spikes during a high extent of deformation are considered.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1060-1068  [ doi:10.1107/S0021889899010286 ]

Microstructural investigation of plastically deformed Pb(1-x)Snx alloys: an X-ray profile-fitting approach

P. Chatterjee and S. P. Sen Gupta

Synopsis: A detailed X-ray line-profile analysis is presented on five compositions of Pb-Sn alloys in the face-centred cubic (f.c.c.) [alpha] phase.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1069-1083  [ doi:10.1107/S0021889899010560 ]

A model-independent maximum-entropy method for the inversion of small-angle X-ray diffraction patterns

J. A. Elliott and S. Hanna

Synopsis: A model-independent maximum-entropy method is presented which can be used to extract structural information from small-angle X-ray diffraction data of disordered systems. The method is explicitly applied to perfluorinated ionomer membranes and liquid-crystalline polymers.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1084-1089  [ doi:10.1107/S002188989901064X ]

Combined Rietveld and stereochemical restraint refinement of a protein crystal structure

R. B. Von Dreele

Synopsis: The first refinement of a protein crystal structure using a combination of high-resolution synchrotron X-ray powder diffraction data and stereochemical restraints is described. The resulting crystal structure for metmyoglobin is in accord with previous single-crystal determinations.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1090-1099  [ doi:10.1107/S0021889899010675 ]

Differential anomalous wide-angle X-ray scattering and X-ray absorption experiments to investigate the formation of glass ceramics in the CaO-SiO2-ZrO2 system

C. Meneghini, A. F. Gualtieri and C. Siligardi

Synopsis: Glass ceramics have been studied by X-ray absorption spectroscopy and differential anomalous X-ray scattering techniques.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1100-1104  [ doi:10.1107/S0021889899010869 ]

The small-angle scattering correlation function of the cuboid

W. Gille

Synopsis: The analytic expression for the correlation function of the cuboid with edges a, b, c is calculated, based on the chord-length distribution of this figure. Different checks (scattering intensity, invariant, asymptotic expansion of the scattering intensity) are performed to validate the result.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1105-1118  [ doi:10.1107/S0021889899010870 ]

Orientation relationship between Al6Mn precipitates and the Al matrix during continuous recrystallization in Al-1.3%Mn

P. Yang, O. Engler and H.-J. Klaar

Synopsis: The orientation relationship between Al6Mn precipitates that form during continuous recrystallization of supersaturated Al-1.3% Mn and the Al matrix are analysed by means of transmission electron microscopy and selected-area diffraction.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1119-1126  [ doi:10.1107/S0021889899010924 ]

Synchrotron X-ray reticulographic measurement of lattice deformations associated with energetic ion implantation in diamond

A. R. Lang and A. P. W. Makepeace

Synopsis: X-ray reticulography displayed the two-dimensional pattern of slight doming of lattice planes in the central surface area of a mesa generated by a localized implant of fluorine ions of 17  MeV energy. Large radii of curvature of lattice planes were reliably measured under conditions when two-beam optical interferometry revealed no departure from flatness of the crystal surface.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1127-1133  [ doi:10.1107/S0021889899010961 ]

Imaging of the helical arrangement of cellulose fibrils in wood by synchrotron X-ray microdiffraction

H. Lichtenegger, M. Müller, O. Paris, C. Riekel and P. Fratzl

Synopsis: A method avoiding specimen rotation is developed for determining local crystal orientations in heterogeneous materials such as wood. Equations are derived and data evaluation procedures are described.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1134-1144  [ doi:10.1107/S0021889899011103 ]

Structural properties of p+-type porous silicon layers versus the substrate orientation: an X-ray diffraction comparative study

C. Faivre and D. Bellet

Synopsis: The structural properties of (001)- and (111)-oriented p+-type porous silicon samples have been investigated using X-ray techniques.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1145-1151  [ doi:10.1107/S0021889899011462 ]

Parallel-slit analyzer developed for the purpose of lowering tails of diffraction profiles

G. Fujinawa, H. Toraya and J.-L. Staudenmann

Synopsis: A parallel-slit analyzer has been developed for the purpose of lowering tails in diffraction profiles. It is shown that textured and roughened surfaces of foil materials are considered effective for depressing total reflection effects from the surfaces, and consequently for lowering the tails of diffraction peaks.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1152-1156  [ doi:10.1107/S002188989901184X ]

Optimization and operation of a BBB X-ray interferometer

J. Würges, A. M. Rostomyan, W. Graeff and G. Materlik

Synopsis: The optimization of parameters for BBB X-ray interferometers is discussed and a new geometric layout, designed for detailed investigations of intrinsic interference patterns, is presented. The gravitational force acting on the interferometer is shown to result in built-in interference fringes.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1157-1163  [ doi:10.1107/S0021889899009991 ]

Assessment of detector calibration materials for SANS experiments

R. E. Ghosh and A. R. Rennie

Synopsis: Inelastic neutron scattering has been measured for various materials that can be used as incoherent-scattering calibrants in small-angle neutron scattering (SANS) measurements. The apparent discrepancies in intensity measurements using different detectors are explained by the combination of extensive inelastic scattering and wavelength-dependent detector efficiency.

Online December 1999


teaching and education in crystallography


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J. Appl. Cryst. (1999). 32, 1164-1168  [ doi:10.1107/S0021889899011152 ]

Interactive Web-based tools for an introductory course in crystallography

G. Chapuis and W. Hardaker

Synopsis: A series of interactive Java applets accessible on the web are presented with the aim to illustrate and facilitate the understanding of symmetry and diffraction concepts.

Online December 1999


computer programs


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J. Appl. Cryst. (1999). 32, 1169-1179  [ doi:10.1107/S0021889899009930 ]

PowderSolve - a complete package for crystal structure solution from powder diffraction patterns

G. E. Engel, S. Wilke, O. König, K. D. M. Harris and F. J. J. Leusen

Synopsis: A fast direct-space method for crystal structure determination from powder diffraction patterns has been implemented within the Cerius2 (Molecular Simulations Inc.) molecular-modelling package. For structure solution, it employs a simulated-annealing algorithm in combination with rigid-body Rietveld refinement.

Online December 1999


laboratory notes


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J. Appl. Cryst. (1999). 32, 1180-1182  [ doi:10.1107/S0021889899010821 ]

Extension of Fe MAD phases in the structure determination of a multiple [FeS] cluster containing hydrogenase

J. W. Peters and H. D. Bellamy

Synopsis: The phasing power of Fe within [FeS] clusters was extended from 4 to 2.5 Å resolution by placing model [4Fe4S] clusters at the locations of the 4-Fe superatoms used for low-resolution phasing.

Online December 1999


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J. Appl. Cryst. (1999). 32, 1183-1185  [ doi:10.1107/S0021889899010833 ]

Collection of very low resolution protein data

S. T. Miller, J. D. Genova and J. M. Hogle

Synopsis: Simple modifications to a MAR 345 detector which facilitate the collection of very low resolution data are described. With these modifications, the lowest order reflections from a poliovirus crystal (c = 377.1  Å) were observed, and measurement of all reflections in typical protein cells should be routine.

Online December 1999


fast communications


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J. Appl. Cryst. (1999). 32, 1186-1189  [ doi:10.1107/S0021889899011577 ]

LiMn2O4 low-temperature phase: synchrotron and neutron diffraction study

V. Massarotti, D. Capsoni, M. Bini, P. Scardi, M. Leoni, V. Baron and H. Berg

Synopsis: The structural evolution of LiMn2O4 spinel has been followed from 320  K down to 10  K.

Online December 1999


computer program abstracts


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J. Appl. Cryst. (1999). 32, 1190  [ doi:10.1107/S0021889899006949 ]

GETENTRY: a simple Unix script for accessing the Protein Data Bank's anonymous ftp server

J. P. Rose, M. Libeson, B.-C. Wang and E. E. Abola

Synopsis: A simple Unix script for accessing the Protein Data Bank's anonymous ftp server is described.

Online December 1999


crystallographers


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J. Appl. Cryst. (1999). 32, 1190  [ doi:10.1107/S0021889899014764 ]

Crystallographers

Online December 1999


international union of crystallography


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J. Appl. Cryst. (1999). 32, 1191-1192  [ doi:10.1107/S0021889899013977 ]

Prices of IUCr journals

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J. Appl. Cryst.. (1999). 32, 1193-1194

forthcoming meetings and short courses.


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