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UNIT 1: Instrumentation & Fundamental Crystallography
for Powder Diffraction
- General Applications of Powder Diffraction
- Instrumentation
- Laboratory Methods
- Synchrotron X-ray Sources & Diffractometers,
Energy Dispersive Methods
- Neutron Sources & Diffractometers
- Diffraction Theory
- Scattering from Arrays of Atoms
- d-spacings
- Diffraction from Single Crystals, Powders, & Non-crystalline Materials
- Structure Factors & Intensities
- Data Acquisition
- For Qualitative Analysis
- For Quantitative Analysis
- For Structure Refinement & Structure Solution Problems
- Thermodiffractometry & Real-time Studies
- Symmetry
- Symmetry Elements
- Crystal Systems
- Bravais Lattices
- Point Groups & Laue Classes
- Space Groups
- Systematic Absences
- Powder Peak Shapes
- Peak Shape Functions
- Resolution Function
- Peak Broadening
- Stress Effects
- Strain Effects
- Publication
- Interpreting Crystallographic Journals
- Use of CIF (Crystallographic Interchange Format)
- Use of Structural Databases
UNIT 2: Analysis of Powder Diffraction Data
- Qualitative Data Analysis
- JCPDS Database: Contents & Usage
- Qualitative Analysis Practicals
- Quantitative Data Analysis
- Peak Height Methods
- Internal Standards
- Rietveld Methods
- Accuracy & Sources of Error
- Indexing
- Use of Standard Powder Samples
- Unit Cell Refinement
- Manual Methods
- Automatic Methods
- Unit Cell Identification Practicals
- Structure Refinement
- Rietveld Method
- Least Squares
- R-factors
- Simple Structure Refinement Practicals
- More Complex Structure Refinements
- Use of Constraint & Restraint Functions
- Refinements Involving Structural Phase Transitions
- Structure Solution
- Whole Pattern Fitting
- Structure Solution Methods
- Worked Examples
UNIT 3: Project
- Individual Student Project to Practice Skills Learnt in Previous 2
Units
- Presentational Skills
- Report Writing in HTML
- Illustrating Reports on the Web
- Presenting Crystallographic Results
- Student Report
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