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3.16  X-Ray Diffraction: Determination of Crystal Structures  •  87

              3.16    X-RAY DIFFRACTION: DETERMINATION
                      OF CRYSTAL STRUCTURES
                                 Historically, much of our understanding regarding the atomic and molecular arrange-
                                 ments in solids has resulted from x-ray diffraction investigations; furthermore, x-rays are
                                 still very important in developing new materials. We now give a brief overview of the
                                 diffraction phenomenon and how, using x-rays, atomic interplanar distances and crystal
                                 structures are deduced.

                                 The Diffraction Phenomenon
                                 Diffraction occurs when a wave encounters a series of regularly spaced obstacles that
                                 (1) are capable of scattering the wave, and (2) have spacings that are comparable in
                                 magnitude to the wavelength. Furthermore, diffraction is a consequence of specific
                                 phase relationships established between two or more waves that have been scattered
                                 by the obstacles.
                                    Consider waves 1 and 2 in Figure 3.21a, which have the same wavelength (l)
                                 and are in phase at point O–O . Now let us suppose that both waves are scattered


                                     O                Scattering
                                           Wave 1                 Wave 1'
                                                       event

                                       A                    A

                                    Amplitude                                    +     2A


                                       A                    A


                                           Wave 2                 Wave 2'
                                      O'
                                                      Position
                                                                 (a)

                                     P
                                           Wave 3     Scattering  Wave 3'
                                                       event

                                       A                    A
                                    Amplitude                                    +


                                       A                         A



                                           Wave 4
                                      P'                          Wave 4'
                                                      Position
                                                                 (b)

              Figure 3.21  (a) Demonstration of how two waves (labeled 1 and 2) that have the same wavelength l and remain
              in phase after a scattering event (waves 1  and 2 ) constructively interfere with one another. The amplitudes of the
              scattered waves add together in the resultant wave. (b) Demonstration of how two waves (labeled 3 and 4) that have
              the same wavelength and become out of phase after a scattering event (waves 3  and 4 ) destructively interfere with
              one another. The amplitudes of the two scattered waves cancel one another.
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