05-MCM-2-W1M Crystal Structure Analysis
Representative: Reinhard X. Fischer
- Theory of single-crystal diffraction
- Structure factor calculations
- Thermal vibration, anisotropic displacements, eigenvalue calculation
- Anomalous dispersion
- Fourier syntheses
- Patterson function
- Direct methods
- Least squares theory
- Structure solution and refinement using SHELX program
- Crystal chemical calculations
- Diffractometer operation and data collection
- Absorption correction
- Precession and Weißenberg methods
The students will be able to determine the crystal structure of minerals and synthetic, crystalline compounds, and to understand the structure/property relationships
Specifically the students will acquire the following skills
- they will be able to operate a single-crystal diffractometer and to perform the data collection with subsequent data reduction
- they will be able to determine the atom positions in crystals with unknown crystal structures
- they will be able to correlate crystal structure parameters with physicochemical properties
The students should have a basic knowledge in geometrical crystallography, crystal chemistry, and X-ray diffraction theory
180 hours / 6 CP
Crystal structure analysis and crystal chemistry
• time for lectures and excercises (3 SWS x 14 weeks) 42 h
• time for preparation and post processing 30 h
• time for exams and preparation 18 h
Single crystal diffraction
• time for lectures and excercises (2 SWS x 14 weeks) 28 h
• time for preparation and post processing 48 h
• time for exams and preparation 14 h
module exam (combined marks):
| written exam | not graded |