The School is an intensive completely hands-on introductory course from crystal growth to manuscript preparation with a strong emphasis on practical aspects in addition to teaching the essential theory.
Typical daily timetable (slight variations may occur on specific days)
08:30 - 10:30 | lectures |
10:30 - 11:00 | coffee break |
11:00 - 13:00 | practical work |
13:00 - 14:20 | lunch break |
14:20 - 16:20 | lectures |
16:20 - 16:45 | coffee break |
16:45 - 18:45 | practical work |
18:45 - 19:00 | group discussion between tutors & students |
19:30 | dinner, relaxation and lively discussions |
Theory
- What is crystallography; what can it tell us?
- Crystals and electromagnetic radiation
- Basic principles of interference and diffraction
- Fourier transforms and convolution
- Crystal growth
- Unit cells, Bravais lattices
- Direct and reciprocal lattices, Bragg's Law
-
Miller indices, Ewald sphere
- Symmetry, point groups, Laue symmetry
- Space groups, equivalent positions, Z
- Intensity statistics, E-values
- Systematic extinctions
- Determination of space groups
- Structure factors, intensity vs. e-density
- The phase problem
- Methods of structure solution
- Structure refinement
- Strategies for dealing with difficult structures
- Absolute structure determination
- Introduction to disorder and twinning
- Inorganic structures
- CIF
- Validation of results
- Derivation, analysis, interpretation and presentation
of the numerical, structural and chemical results
- Accuracy & precision, random & systematic errors, statistical treatments
- Searching the crystallographic databases
Practical
- Instrumentation; working safely with X-rays
- Crystal selection and mounting
- Data collection
- Data integration, reduction, Lp and absorption corrections
- Space group determination, unit cell transformations
- Structure solution
- Structure modelling and refinement using set examples showing
routine and more challenging cases
- Solving and refining the participant's own structure
- Exposure to commonly used software and interpretation of program output