MODERN XRD METHODS IN MINERALOGY [kgpian].pdf

MODERN XRD METHODS IN MINERALOGY
Robert E. Dinnebier & Karen Friese, Max-Planck-Institute for Solid State Research,
Stuttgart. FRG
Keywords
Powder diffraction, single crystal diffraction, synchrotron radiation, neutron radiation,
diffractometer, structure determination, structure refinement.
Summary
The following article describes the basics of crystal structure determination and refinement from X-ray diffraction data with focus on applications in mineralogy
Contents
1. Introduction
2. The Diffraction of X-rays
2.1. The Laue Equations
2.2. The Bragg Equation
2.3. The Ewald Sphere
3. The Generation of the Primary Beam
3.1. Filters and Monochromators
3.2. Detectors
4. Single Crystal Methods
4.1. The Rotation Method
4.2. The Weissenberg Camera
4.3. The Precession Camera
4.4. The Automatic Single Crystal Diffractometer
5. Powder Diffraction
5.1. The Characteristics of a Powder Diffraction Pattern
5.2. Measurement of a Powder Pattern
6. The Position of a Bragg Reflection
7. The Intensity of a Bragg Reflection
7.1. The Atomic Form Factor
7.2. The Structure Factor
7.3. Intensity Corrections
8. The Profile of a Bragg Reflection
8.1. The (Pseudo-)Voigt Function
8.2. Asymmetry Caused by Axial Divergence
8.3. Sample Broadening
9. Crystal Structure Solution
9.1. The Patterson Function
9.2. Direct Methods
9.3. Specialized Methods for Powder Diffraction
10. Crystal Structure Refinement
10.1. Difference Fourier Synthesis
10.2. Powder Pattern Profile Fitting
11. Powder Diffraction in Non-ambient Conditions
11.1. Micro-Reactor
11.2. High Pressure Powder Diffraction
11.3. Energy-Dependent Powder Diffraction
12. Texture, Stress, and Microdiffraction
12.1. Texture
12.2. Stress
12.3. Microdiffraction