XRD.US is offering this theory
and hands-on short course February
15 to 18, 2005 at New York City, USA. The course will take 4
consecutive days and has been divided into two specific sections: Theory
determination from powder diffraction data is not a straightforward
process because of the accuracy in integrated intensity that is due to the
peaks overlapping, preferred orientation and other factors. The course objective is to give a crystallographic and
mathematical background of "common" ab initio approaches and hands-on
knowledge with modern data reduction and structure solution and refinement
software packages for academia, government and industry professionals.
When ab initio structure determination is applied?
It is needed when a newly synthesized compound or a mineral is available
only as a fine powder, and there are no single crystals suitable for
single crystal diffraction experiment as well as there is no isostructural
compound for the Rietveld refinement. The structural information, such as
unit cell, space group, coordinates of atoms is important for many
reasons, such as its use for phase quantification etc. It may be possible
to solve the structure using just powder data by so called ab initio
What is involved?
Collection of high quality powder diffraction data
Indexing of powder pattern to determine unit cell parameters,
Extraction of the structure factors
Structure determination by Direct or Patterson methods
Structure refinement by Rietveld method
Steps 1.-5. has to be performed in sequential manner, and this process
requires many different computational methods, guesswork, and skills. This
course intend to provide necessary theoretical background, skills, tricks
and tips necessary to solve structures from powder diffraction data.
What is the prerequisites for this course?
Desire to learn
Some basics of crystallography
Basics of powder diffraction
Previous experience with
computer calculations a bit harder than MS Excel
Familiarity with crystal
structures complicated than NaCl structure
Where else, except this course, you can learn this method?
Another course (online) is offered by
Dr. Armel Le Bail and associates. Check out this link
Government: $2000, Industry: $3000, which includes all course notes and CD
and use of computers; breakfast and lunch on days 1-4 and course dinner on day 3.
Travel and accommodation are responsibility of the participants
Places may be reserved by submission of the application
form and payment of the course fee by February 1, 2005.