Physical Constants and Other Numerical Data |
Notation |
Crystal Morphology and Crystal Symmetry / Chapter 1: |
Introduction / 1.1: |
The Crystalline State / 1.2: |
Stereographic Projection / 1.3: |
External Symmetry of Crystals / 1.4: |
Bibliography |
Problems |
Lattices and Space-Group Theory / Chapter 2: |
Lattices / 2.1: |
Families of Planes and Interplanar Spacings / 2.3: |
Reciprocal Lattice-Geometrical Treatment / 2.4: |
Unit-Cell Transformation / 2.5: |
Rotational Symmetries of Lattices / 2.6: |
Space Groups / 2.7: |
Matrix Representation of Symmetry Operations / 2.8: |
Diffraction Symbols / 2.9: |
I X-rays, X-ray Diffraction, and Structure Factors II Intensities and Intensity Statistics / Chapter 3: |
X-rays, X-ray Diffraction, and Structure Factors / I: |
Generation and Properties of X-rays / 3.1: |
X-ray Scattering / 3.2: |
Scattering by Regular Arrays of Atoms / 3.3: |
Reciprocal Lattice-Analytical Treatment / 3.4: |
Scattering by a Crystal Structure / 3.5: |
Using the Structure Factor Equation / 3.6: |
Limiting Conditions and Systematic Absences / 3.7: |
Practical Determination of Space Groups from Diffraction Data / 3.8: |
Intensities and Intensity Statistics / II: |
Intensity Expressions and Factors Affecting Intensities / 3.9: |
Intensity Statistics / 3.10: |
I Optical and X-ray Examination of Crystals II Measurement of Intensity Data from Single Crystals / Chapter 4: |
Optical and X-ray Examination of Crystals |
Polarized Light / 4.1: |
Optical Classification of Crystals / 4.3: |
Single-Crystal X-ray Techniques / 4.4: |
Recognition of Crystal System / 4.5: |
Measurement of Intensity Data from Single Crystals |
Intensity Measurements on Photographs / 4.6: |
Single-Crystal X-ray Diffractometry / 4.7: |
Area Detectors (Position-Sensitive Detectors) / 4.8: |
Monochromators / 4.9: |
Focusing Mirrors / 4.10: |
Twinning / 4.11: |
Fourier Series and Fourier Transforms / Chapter 5: |
Image Formation and Focusing / 5.1: |
Fourier Series / 5.2: |
Fourier Series in X-ray Crystallography / 5.3: |
Holes and Atoms / 5.4: |
Generalized Fourier Transform / 5.5: |
Practice with Transforms / 5.6: |
Some General Properties of Transforms / 5.7: |
Convolution / 5.8: |
Structure Solution in Brief / 5.9: |
Fourier Techniques in X-ray Structure Determination / Chapter 6: |
Analysis of the Unit-Cell Contents / 6.1: |
Interpretation of Electron Density Distributions / 6.3: |
Methods of Solving the Phase Problem / 6.4: |
Anomalous Scattering / 6.5: |
Neutron Diffraction / 6.6: |
Direct Methods and Refinement / Chapter 7: |
Direct Methods of Phase Determination / 7.1: |
Patterson Search Methods / 7.3: |
Least-Squares Refinement / 7.4: |
Molecular Geometry / 7.5: |
Precision / 7.6: |
Correctness of a Structure Analysis / 7.7: |
Limitations of X-ray Structure Analysis / 7.8: |
Disorder in Single Crystals / 7.9: |
Computer Prediction of Crystal Structures / 7.10: |
Examples of Crystal Structure Determination / Chapter 8: |
Crystal Structure of 2-Bromobenzo[b]indeno[1,2-e]pyran / 8.1: |
Crystal Structure of Potassium 2-Hydroxy-3,4-dioxocyclobut-1-ene-1-olate Monohydrate KHSO / 8.3: |
Structure Analysis by X-ray and Neutron Diffraction / 8.4: |
Determination of an Intermediate Size Crystal Structure Using Direct Methods / 8.5: |
Concluding Remarks / 8.6: |
X-ray Structure Determination with Powders / Chapter 9: |
Basis of the Powder Method / 9.1: |
Data Collection / 9.3: |
Indexing Powder Patterns / 9.4: |
Extracting Integrated Intensities from a Powder Pattern / 9.5: |
Rietveld Refinement / 9.6: |
Examples of Solved Structures / 9.7: |
Powder Diffraction with Proteins / 9.8: |
Proteins and Macromolecular X-ray Analysis / 9.9: |
Crystallization of Proteins and Complexes for X-ray Analysis / 10.1: |
Crystal Mounting for X-ray Data Collection / 10.3: |
Macromolecular Crystallography / 10.4: |
Types of Fourier Synthesis for Protein Analysis / 10.5: |
Determination of the Phases for Protein Crystals / 10.6: |
Siras and MAD Phasing / 10.7: |
Use of Phase Information and Density Modification / 10.8: |
Macromolecular Structure Refinement and Solvent and Ligand Fitting / 10.9: |
Structure Validation: Final Checks / 10.10: |
Geometry Validation: Final Checks / 10.11: |
Computer-Aided Crystallography / Chapter 11: |
Derivation of Point Groups (EULR*) / 11.1: |
Point-Group Recognition (SYMM*) / 11.3: |
Structure Determination Simulation (XRAY*) / 11.4: |
Crystal Structure Analysis Problems / 11.5: |
General Crystal Structure and Other Programs / 11.6: |
Automatic Powder Indexing (ITO12*) / 11.7: |
Automatic Powder Structure Solving (ESPOIR*) / 11.8: |
Appendices |
Stereoviews and Crystal Models / A1: |
Analytical Geometry of Direction Cosines / A2: |
Schonflies' Symmetry Notation / A3: |
Rotation Matrices / A4: |
Spherical Trigonometry / A5: |
Trigonometrical Formulae / A6: |
Cartesian Coordinates / A7: |
The integral [function of superscript infinity subscript 0 (sin x)/x] dx / A8: |
Gamma Function / A9: |
Crystallographic Software / A10: |
Tutorial Solutions |
Index / Solutions 1: |
Physical Constants and Other Numerical Data |
Notation |
Crystal Morphology and Crystal Symmetry / Chapter 1: |