Publication date: 2nd November 2020
As the structure and the properties of a material are inter-related, it is essential to determine the factors that govern the structural changes. In inorganic perovskites given by the formula ABX3, these have been dictated by the tolerance factor, a quantity constructed using the ionic radii of the atoms involved. The recent interest in hybrid perovskites which have a molecule at the A-site have brought forth the need to extend the concepts beyond those involving ionic radii that one has for the inorganic perovskites. In addition to defining an effective ionic radii for the molecules, and therefore a tolerance factor, it was shown [1] that the hydrogen atoms associated with the molecule formed hydrogen bonds with the anion of inorganic cage which led to the observed structural distortions. We extend these ideas further and show how a mere change in tolerance factor cannot explain the structural evolution trends.
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