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X-Rays Electromagnetic radiation of shorter wavelength than ultraviolet radiation produced by bombardment of atoms by high-quantum-energy particles. The range of wavelengths is 1011 m to 109 m. X-Ray Diffraction A non-destructive analytical technique for identification and quantitative determination of the various crystalline forms, known as phases. Powder Diffraction A scientific technique using X-ray, neutron, or electron diffraction on powder or microcrystalline samples for structural characterization of materials. Single-crystal Diffraction A non-destructive analytical technique which provides detailed information about the internal lattice of crystalline substances, including unit cell dimensions, bondlengths, bond-angles, and details of site-ordering. Directly related is single-crystal refinement, where the data generated from the X-ray analysis is interpreted and refined to obtain the crystal structure. Diffractometer A measuring instrument for analyzing the structure of a material from the scattering pattern produced when a beam of radiation or particles (such as X-rays or neutrons) interacts with it. Crystalline Arranged atoms in a regular pattern, and there is as smallest volume element that by repetition in three dimensions describes the crystal. Amorphous Arranged atom in a random way similar to the disorder we find in a liquid. Glasses are amorphous materials.
Unit cell the smallest three dimensional box which can be stacked to describe the 3D lattice of a solid. Crystal system A method of classifying crystalline substances on the basis of their unit cell. There are seven crystal systems. If the cell is a parallelopiped with sides a, b, and c and if is the angle between b and c, the angle between a and c, and the angle between a and b, the systems are: (1) cubic (2) tetragonal (3) rhombic (or orthorhombic) (4) hexagonal (5) trigonal (6) monoclinic (7) triclinic. Crystal Lattice A regular three-dimension distribution (cubic, tetragonal, etc.) of atoms in space. These are arrange so that they form a series of parallel planes separated from one another by a distance d, which varies according to the nature of the material. For any crystal planes exist in a number of different orientations- each with its own specific d-spacing. Miller Index defines the orientation of the plane within the unit cell. Monochromator a device used to disperse a broad spectrum of radiation and provide a continuous calibrated series of electromagnetic energy bands of determinable wavelength or frequency range. Detector Generally a photomultiplier tube that recovers information of interest contained in a modulated wave. Diffractogram (diffraction spectrum) A plot of reflected intensities versus the detector angle 2-THETA or THETA depending on the goniometer configuration. Intensity States the large number of diffraction grating which indicates the crystallinity of a material. The higher intensity, the more crystallite a material measured
Angle 2-THETA The angle of diffraction that indicates phases of crystal of the material measured. Fingerprint Evidence for the presence or the identity of a substance that is obtained by techniques such as spectroscopy, chromatography, or electrophoresis. Broadening of spectral lines A widening of spectral lines by collision or pressure broadening, or possibly by Doppler effect. Half-width Half the width of a spectrum line (or in some cases the full width) measured at half its height. Reference material A material or substance whose properties are sufficiently well established to be used in calibrating an apparatus, assessing a measurement method, or assigning values to other materials. Bragg's Law Refers to the simple equation: n = 2d sin that explain why the cleavage faces of crystals appear to reflect X-ray beams at certain angles of incidence (, ). The variable d is the distance between atomic layers in a crystal, and the variable lambda is the wavelength of the incident X-ray beam; n is an integer. Scherrers Formula The formula that explaine how to know crystallite thickness (t) from the peak of diffraction spectrum by this simple equation: t = 0,89 / B cos. B is full width at half max of the peak. Rietveld refinement A technique used 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 height, width and position of these reflections can be used to determine many aspects of the materials structure.