Local ordering in disordered Nd Zr1-O2-0.5 pyrochlore as observed using neutron total scattering

Short range order in disordered spinels and the impact on cation vacancy transport

“…Disorder has been studied in pyrochlore and found the enhancement of cation transport 33,34 and anion mobility 35,36 resulting from this disorder. While there is experimental evidence for SRO in pyrochlore 37,38 , only random disorder has been considered computationally so far, not any SRO structured disorder. Anion transport in disordered systems has also been considered in other compounds, finding that disorder decreases anion vacancy transport due to trap sites in disordered regions in the double perovskite GdBaCo 2 O 5+σ 39 and Mg(Al/Ga/In) 2 O 4 spinel 40 .…”

Emerging disorder in Gd2(Ti1−xZrx)2O7 pyrochlores matrices for radioactive waste disposal: symmetry lowering versus defect clustering

“…35,36 In recent years, weberite-type domains have been extensively recognized as building blocks of the local structure of several pyrochlore oxides subjected to disordering processes by mechanical milling, 37,38 irradiation 39–42 and chemical substitution. 35,43–45…”

“…35,36 In recent years, weberite-type domains have been extensively recognized as building blocks of the local structure of several pyrochlore oxides subjected to disordering processes by mechanical milling, 37,38 irradiation [39][40][41][42] and chemical substitution. 35,[43][44][45] Aiming to reveal the nature of emergent disorder in Gd 2 (-Ti 1−x Zr x ) 2 O 7 materials, we present here a multiscale study of the structure of Gd 2 (Ti 1−x Zr x ) 2 O 7 pyrochlores prepared by solid state reaction using synchrotron X-ray diffraction and Raman spectroscopy. The average structure of these materials is examined by analyzing the diffraction patterns via the Rietveld method.…”