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Introduction:
XRD.US is running this theory
and hands-on short course from
February 8 to 11 2005 at New York City, USA. The course will be run over 4
consecutive days and has been divided into two specific sections: the
theory of Rietveld analysis and the practical application and use of
software packages for Rietveld Refinement.
Course objective:
The course objective is to give a
crystallographic and mathematical background of Rietveld method and
hands-on knowledge of modern Rietveld software packages for academia,
government and industry professionals.
Course description:
The course will consist of two
components, the theory of Rietveld analysis and the practical application
and use of software packages for Rietveld analysis. All participants will
be supplied with notebook computers with installed necessary software,
database, and x-ray diffraction data files of samples of various origins
for structure refinement and tools for learning. The course consists
of series of lectures and exercises followed by practical sessions on PCs.
Theory:
Crystal symmetry, unit cell, space groups, atom positions,
thermal parameters and scattering lengths, cell transformations
Powder diffraction, Miller indexes, diffracted intensities,
data reduction and formatting,
Description of profile models used for various x-ray
laboratory, synchrotron sources, neutron optical configurations
Overview of parameters required in the refinement,
including background, polarization, lattice constants, preferred
orientation, profile and profile-shape functions, peak asymmetry, line
broadening, etc.
Corrections- Lorenz, polarization, absorption,
microsbsorption, extinction etc.
Mathematical approach used in the refinement, use of
constraints and restraints
Practical:
Overview of data collection strategies: sample preparation,
beam overflow correction-long samples, capillary sample holders
Data file reading, phase identification manual and
automatic Search-Match, presence of amorphous components
Working through a complete refinement of a small inorganic
structures
Pitfalls in Rietveld analysis by demonstration – false
minima, correlation of parameters, etc.
Checking the results
The course is
intended for people familiar with powder diffraction and who want to learn
how to analyze more complicated structures by this method. There are no
special requirements for this course but one should understand the basic
principles of powder diffraction.
After the lectures, all participants will have the
opportunity to practice on PCs. Examples at different levels of complexity
will be provided. Your own data sets are also welcome.
Course
fee:
Academic and 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
Deadline:
Places may be reserved by submission of the application
form and payment of the course fee by January 20, 2005.
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