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Title: Investigating the order-disorder phase transition in Nd2-xYxZr2O7via diffraction and spectroscopy
Authors: Blanchard, PER
Liu, S
Kennedy, BJ
Ling, CD
Zhang, Z
Avdeev, M
Cowie, BCC
Thomsen, L
Jang, LY
Issue Date: 1-Jan-2013
Publisher: Royal Society of Chemistry
Citation: Blanchard, P.E.R., Liu, S., Kennedy, B.J., Ling, C.D., Zhang, Z.M., Avdeev, M., Cowie, B.C.C., Thomsen, L., & Jang, L.Y. (2013). Investigating the order-disorder phase transition in nd2-xyxzr2o7 via diffraction and spectroscopy. Dalton Transactions, 42(41), 14875-14882.
Abstract: The pyrochlore-defect fluorite phase transition in the mixed-metal zirconate Nd2-xYxZr2O7 (0 <= x <= 2) solid solution was investigated using synchrotron X-ray and neutron diffraction, as well as X-ray absorption spectroscopy. Diffraction analysis revealed a two-phase region between 1.0 <= x <= 1.2. In the pyrochlore phase, Zr L-3-edge XANES analysis demonstrated a gradual change in the local coordination environment of the B site with increasing Y content that was consistent with an increase in disorder. Although Y L-3-edge XANES analysis suggested that the Y cations remained in an ordered coordination environment in the pyrochlore phase, disorder did gradually increase once the fluorite phase formed. It was found that Y cations prefer an ordered coordination environment near the phase boundary whereas Zr cations prefer a disordered coordination environment. © 2013, Royal Society of Chemistry
ISSN: 1477-9226
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