this paper describes day-one beamlines of the iranian light source facility and design concept of powder diffraction and spectromicroscopy beamlines as the most priorities of each synchrotron that cover the research requirements in the fields of physics, chemistry, nano-science, etc. for powder diffraction beamline energy range is 6-30 kev, resolution: 10-4, flux: 1012(ph/s/0.1%b.w.) and spot s...

Advances made over the past decade in structure determination from powder diffraction data are reviewed with particular emphasis on algorithmic developments and the successes and limitations of the technique. While global optimization methods have been successful in the solution of molecular crystal structures, new methods are required to make the solution of inorganic crystal structures more r...

The ab-initio crystal structure solution by powder diffraction data requires great efforts because of the collapse of the experimental information onto the one dimensional 2θ axis of the pattern. Different strategies will be described aiming at improving the process of extraction of the integrated intensities from the experimental pattern in order to make more straightforward the structure solu...

For any crystal structure that can be viewed as a low-symmetry distortion of some higher-symmetry parent structure, one can represent the details of the distorted structure in terms of symmetry-adapted distortion modes of the parent structure rather than the traditional list of atomic xyz coordinates. Because most symmetry modes tend to be inactive, and only a relatively small number of mode am...

We present a scheme to identify quasicrystals based on powder diffraction data and to provide a standardized indexing. We apply our scheme to a large catalog of powder diffraction patterns, including natural minerals, to look for new quasicrystals. Based on our tests, we have found promising candidates worthy of further exploration.

The rutile/corundum structural transformation which is based on crystallographic shear is discussed in terms of a one-dimensional disorder model. The transformation process is described by a simple model based on the structural relationship between the rutile-type and corundum-type phases. The model is able to handle randomly spaced crystallographic shear planes, the so-called Wadsley defects, ...

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Temperature-dependent dc susceptibility and x-ray powder diffraction on a pure tetragonal sample of Sr(2)VO(4) show an antiferromagnetic orbital-ordering transition at T(oo) = 97 K, in which the occupied orbitals lie along the c axis. The unusual broadening of the x-ray Bragg peaks throughout the orbital-ordering transition temperature region indicates that this process occurs in stages, and th...