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| CRIS0204-1 | Crystallography - additional issues
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| Duration : | 15h Th |
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| Number of credits : |
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| Lecturer : | Frédéric Hatert |
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Language(s) of instruction :
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| French language |
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Course contents :
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| 1) Introduction: the concept of crystal, symmetry, space groups, International Tables of Crystallography.
2) Basics of X-ray diffraction: production of X-rays, interractions X rays-crystal, the structure factor, systematic absences, the reciprocal lattice, the Ewald sphere.
3) The powder method: Debye-Scherrer camera, the powder diffractometer, phase identification, unit-cell parameters refinement, crystal structure refinement by the Rietveld method.
4) Single-crystal techniques: the rotation technique, Weissenberg camera, precession camera, the 4-circles diffractometer, crystal structure determination.
5) Results interpretation: catomic coordinates, site occupancy factors, temperature factors, calculation of unit-cell content, density and Z calculation, bond-valence sums. |
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Learning outcomes of the course :
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| The principal purpose of the course is to give the basic concepts which allow to refine the crystal structure of an inorganic compound, from a single-crystal or from a powder. The last chapter gives the tools necessary to interpret the results of a crystal structure refinement. |
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Prerequisites and co-requisites/ Recommended optional programme components :
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| Basic concepts of Cristallography. |
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Mode of delivery (face-to-face ; distance-learning) :
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| The teaching timetable is 3h a week. The day and time have to be fixed with the students. |
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Recommended or required readings :
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| Course notes.
References books :
-Cristallographie géométrique et rédiocristallographie (J-J Rousseau) -"Crystal structure determination" (W. Massa).
- "Crystal structure refinement. A Crystallographer's guide to SHELXTL" (P. Müller et al.).
- "International Tables for Crystallography". |
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Assessment methods and criteria :
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| Written exam (date to be fixed with the students). |
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Contacts :
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| Dr. Frédéric HATERT
Laboratoire de Minéralogie, B18, B-4000 Liège.
Tel 04/366.21.43
email: fhatert@ulg.ac.be |
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