International
Tables for Crystallography Volume H Powder diffraction Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk © International Union of Crystallography 2018 |
International Tables for Crystallography (2018). Vol. H, ch. 2.5, p. 118
Section 2.5.1.1. The diffraction pattern measured by an area detector^{a}Bruker AXS Inc., 5465 E. Cheryl Parkway, Madison, WI 53711, USA |
The diffracted X-rays from a polycrystalline or powder sample form a series of cones in three-dimensional space, since large numbers of crystals oriented randomly in the space are covered by the incident X-ray beam. Each diffraction cone corresponds to the diffraction from the same family of crystal planes in all the participating grains. The apex angles of cones are given by Bragg's law for the corresponding crystal interplanar d-spacing. A conventional X-ray powder-diffraction pattern is collected by scanning a point or linear detector along the 2θ angle. The diffraction pattern is displayed as scattering intensity versus 2θ angle (Klug & Alexander, 1974; Cullity, 1978; Warren, 1990; Jenkins & Snyder, 1996; Pecharsky & Zavalij, 2003). In recent years, use of two-dimensional (2D) detectors for powder diffraction has dramatically increased in academic and industrial research (Sulyanov et al., 1994; Rudolf & Landes, 1994; He, 2003, 2009). When a 2D detector is used for X-ray powder diffraction, the diffraction cones are intercepted by the area detector and the X-ray intensity distribution on the sensing area is converted to an image-like diffraction pattern, also referred to as a frame. Since the diffraction pattern collected with a 2D detector is typically given as an intensity distribution over a two-dimensional region, so X-ray diffraction with a 2D detector is also referred to as two-dimensional X-ray diffraction (2D-XRD) or 2D powder diffraction. A 2D diffraction pattern contains far more information than a conventional diffraction pattern, and therefore demands a special data-collection strategy and data-evaluation algorithms. This chapter covers the basic concepts and recent progress in 2D-XRD theory and technologies, including geometry conventions, X-ray source and optics, 2D detectors, diffraction-data interpretation, and various applications, such as phase identification and texture, stress, crystallinity and crystallite-size analysis. The concepts and algorithms of this chapter apply to both laboratory and synchrotron diffractometers equipped with 2D detectors.
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