77983 - Structural Determination of Solid Crystals

Learning outcomes

At the end of the course the student will have a basic knowledge of structure determination and refinement from powder and single crystal diffraction data.

Course contents

Requirements: Basic crystallography

Attendance: Attendance is not compulsary but it strongly recommended

Programme: Introduction to crystallography and X-ray diffraction. Instrument description and data collection strategy. Structure determination from single crystal diffraction with (WINGX). Structure determination from powder diffraction with DASH. The following topics will be adressed:

1) Introduction to crystallography
- reticular lattice, nides, symmetry operation, space group, miller index
- direct and reciprocal space

2) X-ray diffraction:
-X-ray source
- structural factor

3) Structure determination form Single cRystal X-ray diffraction
-Instrument and data collection strategy
-Structure determination with WINGX

4) Structure determination form powder diffraction
-Instrument and data collection strategy
-infromation that can be acquired from powder patterns
-indexing, space group determination and Pawley refinement with DASH
- rigid body
- structure determination in the durect space with DASH
- Basic Rietveld refinement

Half of the course will be spent in the computer lab

Readings/Bibliography

Materials downlodable from Materiale Didattico, website suggested by the professor

Teaching methods

Oral lessons supported by power point presentation and pratical tutorials with common crystallographic software ( WINGX, DASH) at computer lab.

Assessment methods

There will be only a final examination of about 30-40 minutes to asses the knowledge acquired during the course.
During the examination the student will solve a structure from single-crystals or powder diffraction. He/she shall consult notes or manuals. There will be asked question to assess the theory.

Teaching tools

Oral lessons supported by power point presentation and pratical tutorials with common crystallographic software ( WINGX, DASH) at computer lab.

Office hours

See the website of Lucia Maini