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The International Centre for Diffraction Data (ICDD) maintains a database of powder diffraction patterns, the Powder Diffraction File (PDF), including the d-spacings (related to angle of diffraction) and relative intensities of observable diffraction peaks.
Powder diffraction data can be plotted as diffracted intensity (I) versus reciprocal lattice spacing (1/d). Reflection positions and intensities of known crystal phases, mostly from X-ray diffraction data, are stored, as d-I data pairs, in the Powder Diffraction File database.
Powder diffraction is a scientific technique using X-ray, neutron, or electron diffraction on powder or microcrystalline samples for structural characterization of materials. [2] An instrument dedicated to performing such powder measurements is called a powder diffractometer .
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J. D. "Don" Hanawalt (born c. 1903; died June 26, 1987) was a physicist who joined The Dow Chemical Company in 1931 and became a Corporate Vice President by 1953. [1] He co-authored (with Harold W. "Sid" Rinn) an article titled, "The Identification of Crystalline Materials" [2] which, along with a 1938 publication titled, Chemical Analysis by X-Ray Diffraction: Classification and Use of X-Ray ...
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 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 ...
Generally, the intensities of powder diffraction data are complicated by overlapping diffraction peaks with similar d-spacings. For the Le Bail method, the unit cell and the approximate space group of the sample must be predetermined because they are included as a part of the fitting technique.