Dear All,
I request you to clarify the following doubts that I have regarding refinement ( I am using FullProf program):
1. While refining the x,y,z coordinates of an atom, the codes should be same for all three or different?
2. While refining the Boverall for the X-ray data, I am ending with a negative value, is it acceptable?
3. For X-ray data, if there are 3-4 types of O atoms in the crystal structure, whether the Biso should be refined simultaneously by giving the same code number or individually refined by giving different code numbers.
Yours sincerely,
Lakshminarasimhan.
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N. Lakshminarasimhan,
Research Scholar,
Materials Science Research Centre,
Indian Institute of Technology Madras,
Chennai 600 036, India.
Phone: (91)- 44 - 2257 8460
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