Structure Determination by X-ray Crystallography, 1993

X-ray crystallography provides us with the most accurate picture we can get of atomic and molecular structures in crystals. It provides a hard bedrock of structural results in chemistry and in mineralogy. In biology, where the structures are not fully crystalline, it can still provide valuable results and, indeed, the impact here has been revolutionary. It is still an immense field for young workers, and no doubt will provide yet more striking developments of a major character. It does, however, require a wide range of intellectual application, and a considerable ability in many fields. This book will provide much help. It is a very straightforward and thorough guide to every aspect of the subject. The authors are ex­ perienced both as research workers and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of illustrations and worked examples to aid the student to obtain a real grasp of the subject. The practical side is encouraged by the very clarity of the theory.

1 Crystal Geometry.I.- 2 Crystal Geometry. II.- 3 Preliminary Examination of Crystals by Optical and X-ray Methods.- 4 Scattering of X-rays by Crystals.- 5 Fourier Transform Theory.- 6 Techniques in X-ray Structure Determination.- 7 Direct Methods and Refinement.- 8 Examples of Crystal Structure Determination.- A1 Stereoviews and Crystal Models.- A1.1 Stereoviews.- A1.2 Model of a Tetragonal Crystal.- A2 Crystallographic Point-Group Study and Recognition Scheme.- A3 Schoenflies’ Symmetry Notation.- A3.1 Alternating Axis of Symmetry.- A3.2 Notation.- A4 Generation and Properties of X-rays.- A4.1 X-rays and White Radiation.- A4.2 Characteristic X-rays.- A4.3 Absorption of X-rays.- A4.4 Filtered Radiation.- A5 Crystal Perfection and Intensity Measurement.- A5.1 Crystal Perfection.- A5.2 Intensity of Reflected Beam.- A5.3 Intensity Measurements on Photographs.- A5.4 Data Processing.- A5.4.1 Introduction.- A5.4.2 Standard Deviation of Intensity.- A5.4.3 Absorption Corrections.- A5.4.4 Scaling.- A5.4.5 Merging Equivalent Reflections.- A6 Transformations.- A7 Comments on Some Orthorhombic and Monoclinic Space Groups.- A7.1 Orthorhombic Space Groups.- A7.2 Monoclinic Space Groups.- A8 Vector Algebraic Relationships in Reciprocal Space.- A8.1 Introduction.- A8.2 Reciprocal Lattice.- A8.2.1 Interplanar Spacings.- A8.2.2 Volume of a Parallelepipedon.- A8.2.3 Reciprocity of Unit-Cell Volumes.- A8.2.4 Angle between Bravais Lattice Planes.- A8.2.5 Reciprocity of F and I Unit Cells.- A8.3 X-ray Diffraction and the Reciprocal Lattice.- A8.3.1 Bragg’s Equation.- A8.4 Crystal Setting.- A8.4.1 Setting Technique.- A9 Intensity Statistics.- A9.1 Weighted Reciprocal Lattice.- A9.1.1 Laue Symmetry.- A9.1.2 Systematic Absences.- A9.1.3 Accidental Absences.- A9.1.4 Enhanced Averages.- A9.1.5 Special Distributions.- A10 Enantiomorph Selection.- A11 Analytical Geometry of Direction Cosines.- A11.1 Direction Cosines of a Line.- A11.2 Angle between Two Lines.- A12 The Stereographic Projection of a Circle Is a Circle.- A13 Setting a Crystal for Precession Photography.- A13.1 Setting a Crystal Axis Parallel to the X-ray Beam.- A13.2 Setting a Reciprocal Lattice Row Horizontally.- A13.3 Screen Setting.- A14 Synchrotron Radiation.- Solutions.