Crystal Structure Analysis and Crystal Chemistry

Lecturers: Ella Schmidt


- Introduction to crystal chemistry
- Theory of single crystal diffraction
- Structure factor calculations
- Structure determination techniques
- Structure solution and refinement with Olex2 and SHELX
- Thermal motion
- Disorder in crystal structures
- Anomalus disperion


The students will be able to determine a crystal structure and to refine the atom parameters based on single-crystal diffraction data. Furthermore, the sutdents will gain a basic understanding of crystal chemistry. Theses skills are needed for most of the topics in a crystallography based research project.


usually oral exam, in rare cases written exam

Exam Form:

mündliche Prüfung


G.H. Stout, L.H. Jensen: X-ray structure determination. John Wiley
B.D. Cullity: Elements of X-ray diffraction.Addison-Wesley.
W. Massa: Crystal Structure Determination, Springer (English edition),
W. Massa: Kristallstrukturbestimmung. Teubner (German edition)
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


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