Single Crystal Diffraction

Lecturers: Johannes Birkenstock

Contact: Johannes Birkenstock


- Selection and preparation of a single crystal (typical size 100 µm) for data collection on a single crystal diffractometer
- Single-crystal X-ray diffractometer operation and data collection
- Determination of orientation matrix (also "UB matrix") and of unit cell
- Intensity integration
- Data reduction incl. absorption correction
- evaluation of data quality
- Reflection conditions
- Space group determination


The students will be able to design and to perform single-crystal experiments including preparation, data collection, data reduction and precharacterization.


oral exam


W. Massa: Crystal Structure Determination. Springer (German edition: Kristallstrukturbestimmung. Teubner)
G.H. Stout, L.H. Jensen: X-ray structure determination. John Wiley
B.D. Cullity: Elements of X-ray diffraction.Addison-Wesley.
M.J. Buerger: Kristallographie. Walter de Gruyter
M.J. Buerger: Crystal-structure analysis. Krieger Publishing.
C: Giacovazzo: Fundamentals of crystallography
J. P. Glusker, K.N. Trueblood: Crystal structure analysis, a primer. Oxford University Press
M.F.C. Ladd, R.A. Palmer: Structure determination by X-ray crystallography.Plenum Press
P. Luger: Modern X-ray analysis on single crystals. Walter de Gruyter
B.E. Warren: X-ray diffraction. Addison-Wesley
A.J.C. Wilson: Elements of X-ray crystallography. Addison-Wesley