Short description This self-contained textbook logically develops the topic from the fundamentals of crystal lattice and symmetry, completely covering X-ray data collection, solution and refinement. A must-have for advanced undergraduates, as well as masters and graduate students and many others.
From the contents CRYSTAL LATTICES The Solid State The Crystal Lattice Vectors in Crystallography Matrices in Crystallography Coordinate Systems in Crystallography CRYSTAL SYMMETRY Symmetry Symmetry Group Theory Point Groups Space Groups CRYSTAL DIFFRACTION: THEORY Electromagnetic Radiation Diffraction CRYSTAL DIFFRACTION: EXPERIMENT The Sphere of Reflection Recording the Diffraction Pattern: Film Methods Recording the Diffraction Pattern: Counter Methods Determining the Orientation Matrix and Unit Cell Refining the Orientation Matrix and Unit Cell Determining the Bravais Lattice The Measurement of Integrated Intensities CRYSTAL DIFFRACTION: DATA Experimental Error Scaling the Intensity Data Determining the Space Group CRYSTAL STRUCTURE SOLUTION: EXPERIMENTAL The Patterson Function Other Experimental Methods Completion of the Structural Solution: Fourier Methods CRYSTAL STRUCTURE SOLUTION: STATISTICAL Direct Methods Other Direct Methods Competion of the Structural Solution: Probability Methods CRYSTAL STRUCTURE REFINEMENT Linear Least Squares Non-Linear Least Squares: Structure Refinement Macromolecular Refinement APPENDIX A Geometric Derivation of Bragg's Law The Fourier Transform: Electron Density & The Structure Factor Determination of the Phase Parameter in the Amplitude Reflectivity Ratio Reflection From a Single Plane A Discussion of Kinematical Models for Extinction Probability Integrals: The Modified Bessel Function Monte Carlo Optimization - A Simple Example Contrained Optimization Taylor Series
