منابع مشابه
Parametric Rietveld refinement
In this paper the method of parametric Rietveld refinement is described, in which an ensemble of diffraction data collected as a function of time, temperature, pressure or any other variable are fitted to a single evolving structural model. Parametric refinement offers a number of potential benefits over independent or sequential analysis. It can lead to higher precision of refined parameters, ...
متن کاملParametric Rietveld refinement of coexisting disordered clay minerals
X-ray diffraction is one of the most effective tools for the characterization of the stacking defects which occur frequently in clayminerals.Modelling of the diffraction patterns of oriented mounts is often used for obtaining structural information about the nature of stacking order. Manual matching of calculated and observed patterns is time consuming and the results are user dependent and esp...
متن کاملGlobal Rietveld Refinement
Global optimisation methods of structure determination from powder diffraction data have risen to prominence in a relatively short space of time and they now constitute a key approach in the examination of polycrystalline molecular organic materials. A correctly formulated global optimisation approach may be regarded as a "global Rietveld refinement" that is capable of delivering accurate cryst...
متن کاملRietveld refinement of Y2GeO5
Y(2)GeO(5) (yttrium germanium penta-oxide) was synthesized by solid-state reaction at 1443 K. The arrangement, which has monoclinic symmetry, is isostructural with Dy(2)GeO(5) and presents two independent sites for the Y atoms. Around these atoms there are distorted six-coordinated YO(6) octa-hedra and seven-coordinated YO(7) penta-gonal bipyramids. The YO(7) polyhedra are linked together, shar...
متن کاملSymmetry mode based parametric Rietveld refinement of the structural phase transition of CuInSe2
Symmetry modes provide an alternative method to describe crystal structures. Using the fact that many crystal structures can be described as a distorted version of a higher symmetric parent structure, the traditional atomic positions, occupancies or lattice parameters are no longer used. Instead, all structural features are described applying symmetry modes. This can be of particular interest i...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Applied Crystallography
سال: 2007
ISSN: 0021-8898
DOI: 10.1107/s0021889806043275