Fingerprint of local disorder in long range ordered isometric pyrochlores

Sci Rep. 2017 Sep 25;7(1):12269. doi: 10.1038/s41598-017-12544-8.

Abstract

The detailed characterization of local order and disorder in isometric A2B2O7 crystalline pyrochlores is of significant importance in view of their wide range and sensitive technological applications. Nevertheless, much remains to be understood concerning their atomic scale structures. Here we specifically pinpoint local order and disorder in four stoichiometric Ln2Zr2O7 (Ln = La, Nd, Sm and Eu) pyrochlores using a combination of three standard easily available laboratory techniques: XRD, 17O solid-state MAS NMR and Raman spectroscopy. The evolution of the oxygen sub-lattice identifies specific features (extra 17O NMR signals and Raman bands) which undoubtedly reveal local oxygen order and disorder in these stoichiometric long range ordered crystalline pyrochlores. These results complete the understanding of the atomic scale in these stoichiometric pyrochlores necessitating the need for new microscopic structural models.