Crystal Structure Analysis and Crystal Chemistry

Lecturers: 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


The students will be able to determine the crystal structure of minerals and synthetic crystalline compounds, and to understand the structure/property relationships.


written exam


G.H. Stout, L.H. Jensen: X-ray structure determination. John Wiley
B.D. Cullity: Elements of X-ray diffraction.Addison-Wesley.
W. Massa: Kristallstrukturbestimmung. Teubner
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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