Comment on "Prediction of lattice constant in cubic perovskites"

TL;DR

This paper critiques and corrects an empirical model for predicting lattice constants in cubic perovskites, improving its accuracy and applicability for material investigation.

Contribution

It provides corrected coefficients for an existing empirical equation, addressing previous assumptions and enhancing predictive reliability for perovskite lattice constants.

Findings

Corrected empirical coefficients for lattice constant prediction

Reduced errors in lattice constant estimations

Enhanced model applicability for perovskite materials

Abstract

In a recent work by Jiang et al. [J. Phys. Chem. Solids 67 (2006) 1531-1536], the interrelationship between lattice constant, ionic radii and tolerance factor of cubic perovskites has been established and an empirical equation was obtained. However, the assumption of incorrect ionic coordination led to an incorrect mathematical expression even though the average relative errors between predicted and observed lattice constants of 132 materials were below 1%. Here, corrected coefficients for that empirical expression are obtained, which would likely be useful for investigation of general perovskite materials.