Zirconate pyrochlores have been envisaged as promising candidates for inert matrix fuel applications and immobilization of nuclear waste. Therefore, Ce⁴⁺-substituted Nd₂Zr₂O₇ samples with general formula [Nd_1-xCe_x]₂Zr₂O_7+δ (0.0 ≤ x ≤ 0.5) and Nd₂[Zr_1-xCe_x]₂O₇ (0.0 ≤ x ≤ 1.0) were synthesized by solid state route and thoroughly characterized by X-ray diffraction (XRD) in order to mimic plutonium incorporation at A- and B-sites of Nd₂Zr₂O₇ pyrochlore which are crystallographically distinct. The local structure has also been probed by Raman spectroscopy and X-ray absorption near edge structure (XANES) spectroscopy. Interestingly, the substitution of Ce⁴⁺ at different sites yields distinct phase relations. Ce⁴⁺-substitution at A- (Nd³⁺) site retains pyrochlore-type phase up to nominal composition with x = 0.4 and F-type phase was observed for composition with x = 0.5. However, Ce⁴⁺-substitution at B- (Zr⁴⁺) site demonstrated transformation of pyrochlore-type phase to F-type phase through a biphasic phase field consisting of these two phases. Raman spectroscopic studies on Nd₂[Zr_1-xCe_x]₂O₇ (0.0 ≤ x ≤ 1.0) system clearly indicated existence of C-type ordering in largely F-type phases for compositions with x = 0.6 and beyond. XANES studies exhibited a change in Zr local coordination upon successive Ce⁴⁺-substitution at ‘Nd’ site and pointed towards increase in local disorder across the pyrochlore phase regime. Ce L_III edge XANES also revealed significant changes in ‘Ce’ local environment in Ce-substituted samples.

锆的烧绿石被设想为惰性基质燃料应用和核废料固定化的有前途的候选者。因此，具有通式[Nd _1-x Ce _x ] ₂ Zr ₂ O _{7 +δ}（0.0≤x≤0.5）和Nd ₂ [Zr _1-x Ce _x ]的Ce ⁴⁺取代Nd ₂ Zr ₂ O ₇样品通过固态路线合成₂ O ₇（0.0≤x≤1.0），并通过X射线衍射（XRD）进行彻底表征，以模拟p在Nd ₂ Zr _2的A和B位置的掺入。晶体学上不同的O ₇烧绿石。局部结构也已通过拉曼光谱和近边缘结构的X射线吸收光谱（XANES）进行了探测。有趣的是，Ce ⁴⁺在不同位点的取代产生明显的相位关系。在A-（Nd ³⁺）位处的Ce ⁴⁺取代保留了烧绿石型相直至x = 0.4的标称组成，对于x = 0.5的组成观察到F型相。然而，在B-（Zr ⁴⁺）位点处的Ce ⁴⁺取代表现出烧绿石型相通过由这两个相组成的双相场转变为F型相。Nd ₂ [Zr的拉曼光谱研究_1-x Ce _x ] ₂ O ₇（0.0≤x≤1.0）系统清楚地表明，对于x = 0.6或更高的成分，在很大程度上F型相中存在C型有序。XANES研究显示，在“ Nd”位点连续发生Ce ⁴⁺取代后，Zr局部配位发生变化，并指出整个烧绿石相阶段的局部紊乱增加。Ce L _III边缘XANES还显示了Ce取代样品中'Ce'局部环境的显着变化。