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Figure 4
Structural evolution of the (Ti,Zr)O6 octahedron as Zr is substituted for Ti in the ferroelectric perovskite PbTiO3 to form PZT, from literature data. (a) The radius Rsph (Balić-Žunić, 2007BB5) of the best fit sphere (solid symbols) shows much less data scatter than the average (Ti,Zr)–O bond length (open symbols), which in part depends on the refinement model used for the Ti,Zr site. (b) The Sdev parameter measures the spread of the distances of the O ligands from the centroid of the octahedron (Balić-Žunić, 2007BB5). It shows that the configuration of oxygen atoms becomes more regular with increasing Zr substitution for Ti.

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ISSN: 2053-2733
Volume 81| Part 3| May 2025| Pages 202-210
https://doi.org/10.1107/S2053273325002682
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