Quantitative phase analysis by Rietveld
(Theory and Hands-on course)
The course will consist of two components, the
theory of Rietveld analysis and the practical application and use of
software package for Rietveld analysis.
The course objective is to
give a crystallographic and mathematical background of standardless Rietveld
method and hands-on knowledge of modern Rietveld quantification software
packages for academia, government and industry professionals.
This four day course
is offered twice annually (August and February) in the USA.
Question : What are
the prerequisites for this course?
Our answer: High
school math and some basic knowledge of crystallography.
Ab initio structure determination
Suitable single crystals are not
always available for structure determination. We can try to solve the
structure using only powder data by ab-initio methods. Ab initio
method is often required for promising drug candidates.
Question : Is it possible to determine the
structure of any compound by ab-initio methods?
Our answer: No, major obstacles
are: large unit cell, too many independent atoms, or low symmetry, low
sample crystallinity. Success of structure solution largely depends on
quality and extracted structure factor amplitudes.
We will advise you on diffractometer
purchase, data acquisition or treatment software, sampling and data
collection strategies. Expert crystallographer will answer your questions
that you could not resolve yourself.
Question : How many different
Space Groups are shown below:
F12/d1; B112/b; B2/b11;
C2/c11; I2/b11; C12/c1;
Our answer: Only one
Question : Is it a
good idea to collect data using copper anode for iron-rich samples?
Our answer: No, use
X-ray tube with cobalt anode.
Question : Does
Scherrer equation give the crystallite size distribution?
Our answer: No. The
crystallite size distribution is determined by Fourier methods, such as