Structural and spectroscopic insights on fluorite-structured terbium zirconates Tb2Zr2−xO7−2x (x = 0–1)

Terbium zirconates, Tb 2 Zr 2– x O 7–2 x ( x = 0–1, step = 0.125), were prepared by a co-precipitation route and sintered at 1400 °C. The bulk structures were characterized by powder X-ray, neutron and electron diffractions while the vibrational modes and electronic structures were investigated using Raman and diffuse reflectance spectroscopies. The results showed that all materials possess fluorite structures under various compositional stoichiometries, with a linear cell expansion upon increasing x from 0 to 1. Despite the high structural symmetry and simplicity, the fluorite-structured materials can accommodate atomic disorders and oxygen vacancies without losing crystallinity, making them essential for materials applications in severe conditions, especially for high temperature, harsh chemical, and extreme radiation environments. Terbium zirconate Tb 2 Zr 2– x O 7–2 x ( x = 0–1, step = 0.125) compositions were prepared using a solution route and characterized by powder X-ray, neutron and electron diffractions while the vibrational modes and electronic structures were investigated by Raman and diffuse reflectance spectroscopies