Hiya all.
A joint introduction and question.  I'm a PDF with Canada's National
Research Council working on cathode materials for lithium ion batteries (yes
we do use neutrons!).  My background is in oxides of various types and I
have an interest in time resolved diffraction studies.  I use GSAS (with
ExpGUI) although I am also in the process of learning Rietan.

Now for the question.  Unfortunately chemical constraints aren't covered in
the GSAS manual.  How would I go about constraining the overall
stoichiometry to a particular value as it doesn't seem very intuitive.
Needless to say the material has cation disorder with vacancies to make life
interesting.

Many thanks!

Pamela Whitfield
Room 240
Building M12
ICPET
National Reserach Council
Montreal Road
Ottawa ON
K1A 0R6
CANADA

Tel: (613) 991 2435

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