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The ability of the maximum‐entropy method (in the program MAXENT) to estimate the distance‐distribution function from high‐resolution X‐ray scattering data is studied. It is demonstrated that a key element for the successful application of MAXENT is the use of a good prior estimate for...
A new figure‐of‐merit function for full‐profile fitting of powder patterns has been tested using the neutron diffraction data file for PbSO4, distributed during the first part of the Rietveld Refinement Round Robin organized by the Commission on Powder Diffraction of the International Union...
X‐ray Berg–Barrett topography has been used to check the nature of the slip systems that are activated during high‐temperature plastic deformation of single crystals and to follow the evolution of the microstructure with the strain. A study has been made of yttria fully stabilized zirconium...
Lattice distortions perpendicular to the surface in thin surface layers of ion‐implanted (111) silicon crystals have been mapped as a function of depth and lateral position with resolutions of 0.05 and 0.65 μm, respectively. X‐ray triple‐crystal diffractometry data were collected near the...
The concept of a variable‐counting‐time (VCT) strategy for use in Rietveld analysis of X‐ray powder diffraction data was introduced by Madsen & Hill (Adv. X‐ray Anal. (1992), 35, 39–47). This strategy is based on a function that increases the counting time used at each step in the scan...
XRDA, an analysis software for energy‐dispersive X‐ray diffraction data obtained from samples compressed in a diamond‐anvil cell using synchrotron radiation, is described. The code takes advantage of the recent availability of inexpensive fast PC's and the widespread Windows graphical...
The Pb5(Cr1 −xAlx)3F19 system forms four phases. Ferroelectric phase IV, with point group 4mm, undergoes a first‐order transition on heating to paraelectric phase I, point group 4/m, in the composition range 0 ≤x≲ 0.80. The Curie temperature varies linearly with x over this range, from...
While Bragg diffraction data can only reveal average one‐body information, such as atomic positions, thermal ellipsoids and site occupancies, diffuse scattering contains two‐body information and is thus potentially a rich source of information on how atoms and molecules interact. The two...
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