In my case, i have doped iron into TiO2 (up to 5%)and found that there is a higher theta value shifting in XRD data. Is any case where it occurs? Please if possible suggest me any paper to which I can site.
Hi,
One must know the atomic radius to predict the crystal structure changes. Find the attached doc file to know atomic radii of the elements.
Follow the link below to know the exact ionic radii of your elements.
http://abulafia.mt.ic.ac.uk/shannon/ptable.php
Thanks to RG for the info.
In general, if the dopant has a larger radius compared to the host element then the crystal structure expands and vice versa.
U r mentioning two contrast things here. Fe3+ ionic radius is 0.64 A° and the octahedrally coordinated Ti4+ has the ionic radius of 0.68 A°. Both have almost equal radii. U shouldn't see so much difference in the lattice parameters or slightly they should be less. And also higher 2theta angle shift suggests decrement in the unit cell dimensions.
U can find lots of references if u google. I have attached one for u!
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