Crystal structure analysis: principles and practice
Oxford University Press, 2009 - Science - 387 pages
This text focuses on the practical aspects of crystal structure analysis, and provides the necessary conceptual framework for understanding and applying the technique. By choosing an approach that does not put too much emphasis on the mathematics involved, the book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results. The technique described is a core experimental method in modern structural chemistry, and plays an ever more important role in the careers of graduate students, postdoctoral and academic staff in chemistry, and final-year undergraduates.
Much of the material of the first edition has been significantly updated and expanded, and some new topics have been added. The approach to several of the topics has changed, reflecting the book's new authorship, and recent developments in the subject.
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Introduction to diffraction
Introduction to symmetry and diffraction
Crystal growth and evaluation
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Crystal Structure Analysis: Principles and Practice
Alexander J Blake,William Clegg
Limited preview - 2009
absorption Acta Crystallogr amplitudes angles area detector asymmetric unit atoms axis bond lengths Bragg's law calculated cell axes centrosymmetric co-ordinates compound constraints contain correct corresponding crystal structure crystal system crystallography data collection database dataset diffraction data diffraction pattern diffractometer disorder displacement parameters distribution domain effect electron density electron-density entropy equations equivalent example geometry give group symmetry heavy atoms indexing indices intensity least-squares refinement material mean measured methods mirror plane molecular molecular geometry molecules monoclinic neutron normal observed obtained orientation matrix orthorhombic Patterson map Patterson peaks peaks phases point group positions possible powder diffraction problems radiation reciprocal lattice reciprocal space relationships result sample single-crystal solvent space group struc structure determination structure factors symmetry elements symmetry operations synthesis systematic absences Table temperature tetragonal tion triclinic twin law two-fold rotation unit cell unit cell parameters values variance vectors wavelength weights X-ray beam X-ray diffraction