Fig. 3
From: A high-throughput data analysis and materials discovery tool for strongly correlated materials
Descriptors for octahedral distortion in perovskite superstructures. a Tolerance factor (t) is plotted against the average bond angle 〈B-O-B'〉. t is seen to correlate with decreased octahedral distortion as the bond angle 〈 B-O-B'〉 gets closer to linear. b A plot of the average 〈B–O〉 bond length against the bond angle 〈B-O-B'〉. The bond length is seen to correlate with decreasing distortion (increasing bond angle). For various B' cations, average bond angles and bond lengths have been obtained by considering all six neighboring B cations. The inset in (b) shows neighboring BO6 and B'O6 octahedra where B, B', and O ions are marked with grey, yellow, and red spheres, respectively
