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Rietveld refinement is a technique described by Hugo Rietveld for use in the characterisation of crystalline materials. The neutron and X-ray diffraction of powder samples results in a pattern characterised by reflections (peaks in intensity) at certain positions.
The accuracy of this quantitative analysis of sample composition is affected by various factors. Many elements will have overlapping X-ray emission peaks (e.g., Ti K β and V K α, Mn K β and Fe K α). The accuracy of the measured composition is also affected by the nature of the sample.
Materials Data creates JADE software used to collect, analyze, and simulate XRD data and solve issues in an array of materials science projects. In 2020, the ICDD and the Cambridge Crystallographic Data Centre, which curates and maintains the Cambridge Structural Database, announced a data partnership.
In crystallography, the R-factor (sometimes called residual factor or reliability factor or the R-value or R Work) is a measure of the disagreement between the crystallographic model and the experimental X-ray diffraction data - lower the R value lower is the disagreement or
The use of computational methods for the powder X-ray diffraction data analysis is now generalized. It typically compares the experimental data to the simulated diffractogram of a model structure, taking into account the instrumental parameters, and refines the structural or microstructural parameters of the model using least squares based ...
The decadic absorbance of a scattering sample is defined as −log 10 (R+T) or −log 10 (1−A). For a non scattering sample, R = 0, and the expression becomes −log 10 T or log( 1 / T ), which is more familiar. In a non-scattering sample, the absorbance has the property that the numerical value is proportional to sample thickness.
The Scherrer equation, in X-ray diffraction and crystallography, is a formula that relates the size of sub-micrometre crystallites in a solid to the broadening of a peak in a diffraction pattern. It is often referred to, incorrectly, as a formula for particle size measurement or analysis.
Energy-dispersive X-ray diffraction (EDXRD) is an analytical technique for characterizing materials. It differs from conventional X-ray diffraction by using polychromatic photons as the source and is usually operated at a fixed angle. [1] With no need for a goniometer, EDXRD is able to collect full diffraction patterns very quickly.