How to add constraint while using fullprof? What the meaning of the factor?

03 March 2019 1 5K Report

I'm trying to refine the structural of BaFe(12-x)TixO19 (x=0, 0.2, 0.4, 0.6, 0.8) using fullprof, how to use constraint to reflect the change of x?

Markus Stroebele

It´s quite easy,

just use the same atom position for Fe and Ti and use the occupancy of the two positions to represent the x you like.

If you like, just mail me your pcr and the x you like and i will put it in for you.

Best regards

Markus

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Science method

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Crystallography

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