Structure Determination by X-Ray Crystallography
Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.
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angle atoms axes axis calculated circle combination components consider contain convenience coordinates correct corresponding crystal crystallographic derived determine diagram diffraction dimensions direction discussed drawing effect electron density equation equivalent positions example extinction faces Figure four function geometric give given Hence hexagonal illustrated indices integral intensity lattice Laue light Limiting conditions listed measured method molecule monoclinic normal noted obtained operation optical orientation origin orthorhombic oscillation parallel pattern peaks perpendicular phase photograph plane plane group point group positions possible practice problem projection reciprocal lattice reference reflections relationship repeat represent respect rotation scattering shown shows signs similar space group stereogram structure structure analysis structure factor symbol symmetry elements Table tetragonal translation unit cell unit-cell values vector vibration X-ray X-ray beam zero zone