Please explain the role of coordination number of A and B (in ABO3 perovskite structure)in finding out the tolerance factor.
you have to choose the coordiantion of Bi ions to be 9-fold and the iron to be 6-fold where it occupies octahedral coordianation, you ll find attached the eaquation of the tolerance factor
Hi, the tolerance factor is a parameter reflecting the stability of a phase structure. For ABO3 perovskite, the coordination number (CN) of A site cation is 12, and the CN of B-site cation is 6. Different coordination number corresponding to different ioinc radius. We usually use Shannon table to verify the ionic radius of ions with different CN, please find it on google. When you have the radius, you can calculate the tolerance factor. For a stable cubic phase, it is around 1. If your BFO is refered to BaFeO3, you can consult my paper: The effect of A-site and B-site substitution on BaFeO3-δ: an investigation as a cathode material for intermediate-temperature solid oxide fuel cells.
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