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1、Course description

X-ray diffraction crystallography for powder samples is a well-established and widely used method. It is applied to materials characterization to reveal the atomic scale structure of various substances in a variety of states. It is aimed at helping students to understand crystallography theory, to establish vivid three dimensional concepts of symmetry operations, simple geometry concepts and methods are employed in the analysis and derivation of the symmetry principles and diffraction theory in this course. The course deals with fundamental properties of X-rays, geometry analysis of crystals, X-ray scattering and diffraction in polycrystalline samples and its application to the determination of the crystal structure. The reciprocal lattice and integrated diffraction intensity from crystals and symmetry analysis of crystals are explained. To learn the method of X-ray diffraction crystallography well and to be able to cope with the given subject, a certain number of exercises is presented in this course to calculate specific values for typical examples. This is particularly important for beginners in X-ray diffraction crystallography. Some essential points with basic equations are summarized in each chapter, together with some relevant physical constants and the atomic scattering factors of the elements. The 32 point groups and 230 microscopic symmetry combinations are systematically derived as well. Based on the relation between crystal lattice and its reciprocal lattice, the mathematical model of reciprocal lattice, Ewald sphere and their relations are adopted in the elucidation of Laue Equation and Bragg Reflection Equation Several important single crystal diffraction measurement methods, instruments and their applications are also illustrated. In addition, through the principles of systematic absence of reciprocal lattice caused by microscopic translations, the systematic absence principle of diffraction is illustrated.

2、Reference Textbook

(1) Fundamentals of X-ray Crystallography(the second edition)

Author: C. Giacovazzo, H.L. Monaco, D.Viterbo, F. Scordari, G.Gilli, G. Zanotti, M. Catti.

(2) X-ray Diffraction Crystallography

Author: Yoshio Waseda, Eiichiro Matsubara, Kozo Shinoda

3、Course Requirements:

Homework assignments, and class participation (20%)

Experiments (30%)

Final examination (50%)

4、Course Goals and Purpose

To develop an understanding of basic crystallographic concepts;

To be able to interpret the crystallographic data in publications;

To gain an appreciation of the steps involved in a crystal structure determination;

To cultivate students who have English communication ability and international vision.