Journal of Applied Crystallography

Volume 28, Part 4 (August 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

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J. Appl. Cryst. (1995). 28, 369-374    [doi:10.1107/S0021889895001750]

Fluorescence Corrections in Thin-Film Texture Analysis

D. Chateigner, P. Germi, M. Pernet, P. Fréchard and S. Andrieu

Synopsis: The pole-figure corrections in the case of fluorescent thin-film texture analysis using transmission and reflection techniques are detailed. No use of specific experimental fluorescence suppression is needed, as is proved for thin iron layers deposited on glass substrates.

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J. Appl. Cryst. (1995). 28, 375-384    [doi:10.1107/S0021889894013087]

An Ultra-Low-Temperature Diffractometer Based on an 3He-4He Dilution Refrigerator used for Synchrotron-Radiation X-ray Diffractometry and Topography

T. Nakajima, J. Ohta, I. Yonenaga, H. Koizumi, I. Iwasa, H. Suzuki, T. Suzuki and H. Suzuki

Synopsis: Synchrotron-radiation X-ray diffractometers used for crystalline materials and solid helium at ultra-low temperatures have been constructed with 3He-4He dilution refrigerators. By their use, the phase transitions of holmium elpasolite and solid 3He and 4He have been studied.

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J. Appl. Cryst. (1995). 28, 385-391    [doi:10.1107/S0021889894014469]

X-ray Analysis and Computer Modeling of the Structure of `Relaxor' Ferroelectrics Pb3MgNb2O9 and Pb2ScTaO6 in the Paraelectric State

S. G. Zhukov, V. V. Chernyshev, L. A. Aslanov, S. B. Vakhrushev and H. Schenk

Synopsis: The random displacements of the Pb atom in `relaxor' ferroelectrics PMN and PST have been studied by X-ray diffraction and computer modeling.

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J. Appl. Cryst. (1995). 28, 392-399    [doi:10.1107/S0021889894014986]

Quantitative Phase Analysis using the Whole-Powder-Pattern Decomposition Method. I. Solution from Knowledge of Chemical Compositions

H. Toraya and S. Tsusaka

Synopsis: A new two-step procedure for quantitative phase analysis using the whole-powder-pattern decomposition method is proposed.

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J. Appl. Cryst. (1995). 28, 400-407    [doi:10.1107/S002188989500046X]

A Surface-Layer Texture Model for Correction of the Preferred-Orientation Effect

M. Järvinen

Synopsis: A model where texture is supposed to concentrate in a surface layer of the sample is presented and tested by measurement of X-ray intensities from ammonium chloride powder samples.

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J. Appl. Cryst. (1995). 28, 408-415    [doi:10.1107/S0021889895001051]

An Improved Method for the Normalization of the Scattered Intensity and Accurate Determination of the Macroscopic Density of Noncrystalline Materials

F. L. Cumbrera, F. Sanchez-Bajo and A. Muñoz

Synopsis: A procedure is presented that enables an estimation of the normalization constant with a high degree of accuracy.

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J. Appl. Cryst. (1995). 28, 416-423    [doi:10.1107/S0021889895001580]

The Post-Cotunnite Phase in BaCl2, BaBr2 and BaI2 under High Pressure

J. M. Léger, J. Haines and A. Atouf

Synopsis: X-ray powder diffraction patterns have been obtained for BaBr2, BaCl2 and BaI2 as a function of pressure up to 40 GPa. All these cotunnite-structured compounds in ambient conditions transform to a monoclinic P1121/a Z = 8 structure that is at the present time the final structure in the known high-pressure sequence of phase transformations in AX2 compounds.

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J. Appl. Cryst. (1995). 28, 424-428    [doi:10.1107/S0021889895003566]

A Direct Determination of Micelle Structure from Small-Angle X-ray or Neutron Scattering Curves Measured by the Contrast-Variation Method

T. Kawaguchi

Synopsis: Micelle structure, on the basis of the two-shell model with ellipsoidal shape, can be directly analysed by the solution of simultaneous equations concerning the morphological parameters obtained from small-angle X-ray or neutron scattering curves.

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J. Appl. Cryst. (1995). 28, 429-435    [doi:10.1107/S002188989401143X]

Structure of the YBa4Cu2(CO3)O5.5±[delta] Oxycarbonate

M. A. Rodriguez, R. L. Snyder, J. J. Simmins, Y. M. Guo, R. A. Condrate Sr, F. J. Rotella and J. D. Jorgensen

Synopsis: This paper presents the crystal structure of YBa4Cu2(CO3)O(5.5±[delta]) determined by powder X-ray and neutron Rietveld refinement. Disordered (CO3)2- groups are found on two unique sites of a double perovskite cell.

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J. Appl. Cryst. (1995). 28, 436-447    [doi:10.1107/S0021889894014901]

High-Temperature Crystallographic Study of Mg-Doped TbAlO3 and YAlO3

J. Ranløv and K. Nielsen

Synopsis: Difference nuclear density maps [Delta][rho], computed as [Delta][rho](low temperature) - [Delta][rho](high temperature) using only observed structure factors, show that thermal vibrations in Mg-doped TbAlO3 and YAlO3 are similar and that the difference density distribution for each atom can be described by zeroth-and second-order spherical harmonics (quadrupolar functions).

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J. Appl. Cryst. (1995). 28, 447-450    [doi:10.1107/S0021889895001920]

Determination of dmin and [lambda]min from the Intensity Distributions of Laue Patterns

Q. Hao, M. M. Harding and J. W. Campbell

Synopsis: The parameters dmin and [lambda]min, essential for the processing of Laue patterns, can be efficiently estimated by examination of the distribution of measured intensities as a function of d spacing and wavelength.

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J. Appl. Cryst. (1995). 28, 451-458    [doi:10.1107/S002188989500269X]

Absolute Lattice-Parameter Measurement

P. F. Fewster and N. L. Andrew

Synopsis: This method uses a high-resolution multiple-crystal multiple-reflection diffractometer to determine the interatomic spacings to within a few parts per million of homogeneous and inhomogeneous crystalline materials.

computer program abstracts

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J. Appl. Cryst. (1995). 28, 459    [doi:10.1107/S0021889895001294]

LQSWPF - a stand-alone full-matrix least-squares whole-pattern-fit program

G. Brüderl

Synopsis: The computer program LQSWPF is a full-matrix least-squares whole-pattern-fit program that can be used to extract the single line intensities from a powder diffraction pattern.

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J. Appl. Cryst. (1995). 28, 459    [doi:10.1107/S0021889895002184]

POLYNET - a teaching program for the plane crystallographic groups, for use on Apple Macintosh computers

S. G. Hoggar

Synopsis: A computer program is described that teaches about plane crystallographic groups by generating patterns plus an optional diagram of symmetries from a user-input asymmetric unit.

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J. Appl. Cryst. (1995). 28, 459-460    [doi:10.1107/S0021889895002172]

A program for sorting reflections for polycrystalline materials

M. Sadd and E. F. Skelton

Synopsis: A computer program that sorts X-ray reflections from polycrystalline materials by their crystallite of origin is described.

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J. Appl. Cryst. (1995). 28, 460    [doi:10.1107/S0021889895099547]

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