The pyrochlore to defect fluorite phase transition in Y2Sn2-xZrxO7

Massey de los Reyes; Karl R. Whittle; Zhaoming Zhang; Sharon E. Ashbrook; Martin R. Mitchell; Ling-Yun Jang; Gregory R. Lumpkin

doi:10.1039/c3ra22704a

The pyrochlore to defect fluorite phase transition in Y2Sn2-xZrxO7

Massey de los Reyes^*, Karl R. Whittle, Zhaoming Zhang, Sharon E. Ashbrook, Martin R. Mitchell, Ling-Yun Jang, Gregory R. Lumpkin

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

The system Y2Sn2-xZrxO7 (0.0 1.4, but the spectra also suggest the presence of residual order due to the modulated structure. The phase transformation in this system occurs at a higher Zr content than predicted by classical radius ratio models, consistent with the covalent character of Sn-O bonding. An unusual finding of this work comes from Sn-119 MAS NMR and Sn L-3-edge XANES analyses, indicating that Sn4+ prefers to occupy lattice sites with a 6-fold local coordination environment throughout the series. These results suggest that the incorporation of Sn or other metal cations having significant covalent bonding or a strong preference for octahedral coordination in pyrochlore-based materials may have a detrimental effect on ionic conductivity.

Original language	English
Pages (from-to)	5090-5099
Number of pages	10
Journal	RSC Advances
Volume	3
Issue number	15
DOIs	https://doi.org/10.1039/c3ra22704a
Publication status	Published - 2013

Keywords

DIFFRACTION
CUBIC-STABILIZED ZIRCONIA
ORDER-DISORDER PHENOMENA
SYSTEM
RAMAN-SPECTROSCOPY
RARE-EARTH
CRYSTAL-CHEMISTRY
A(2)B(2)O(7)
RADIATION TOLERANCE
OXIDE FUEL-CELLS

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10.1039/c3ra22704a

High-Resolution Solid-State NMR: High-Resolution Solid-State NMR in St Andrews: Development and Applications
Ashbrook, S. E. (PI), Morris, R. E. (CoI), Wormald, P. (CoI) & Wright, P. A. (CoI)
EPSRC
1/08/07 → 13/01/11
Project: Standard

Cite this

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title = "The pyrochlore to defect fluorite phase transition in Y2Sn2-xZrxO7",

abstract = "The system Y2Sn2-xZrxO7 (0.0 1.4, but the spectra also suggest the presence of residual order due to the modulated structure. The phase transformation in this system occurs at a higher Zr content than predicted by classical radius ratio models, consistent with the covalent character of Sn-O bonding. An unusual finding of this work comes from Sn-119 MAS NMR and Sn L-3-edge XANES analyses, indicating that Sn4+ prefers to occupy lattice sites with a 6-fold local coordination environment throughout the series. These results suggest that the incorporation of Sn or other metal cations having significant covalent bonding or a strong preference for octahedral coordination in pyrochlore-based materials may have a detrimental effect on ionic conductivity.",

keywords = "DIFFRACTION, CUBIC-STABILIZED ZIRCONIA, ORDER-DISORDER PHENOMENA, SYSTEM, RAMAN-SPECTROSCOPY, RARE-EARTH, CRYSTAL-CHEMISTRY, A(2)B(2)O(7), RADIATION TOLERANCE, OXIDE FUEL-CELLS",

author = "{de los Reyes}, Massey and Whittle, {Karl R.} and Zhaoming Zhang and Ashbrook, {Sharon E.} and Mitchell, {Martin R.} and Ling-Yun Jang and Lumpkin, {Gregory R.}",

year = "2013",

doi = "10.1039/c3ra22704a",

language = "English",

volume = "3",

pages = "5090--5099",

journal = "RSC Advances",

issn = "2046-2069",

publisher = "Royal Society of Chemistry",

number = "15",

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TY - JOUR

T1 - The pyrochlore to defect fluorite phase transition in Y2Sn2-xZrxO7

AU - de los Reyes, Massey

AU - Whittle, Karl R.

AU - Zhang, Zhaoming

AU - Ashbrook, Sharon E.

AU - Mitchell, Martin R.

AU - Jang, Ling-Yun

AU - Lumpkin, Gregory R.

PY - 2013

Y1 - 2013

N2 - The system Y2Sn2-xZrxO7 (0.0 1.4, but the spectra also suggest the presence of residual order due to the modulated structure. The phase transformation in this system occurs at a higher Zr content than predicted by classical radius ratio models, consistent with the covalent character of Sn-O bonding. An unusual finding of this work comes from Sn-119 MAS NMR and Sn L-3-edge XANES analyses, indicating that Sn4+ prefers to occupy lattice sites with a 6-fold local coordination environment throughout the series. These results suggest that the incorporation of Sn or other metal cations having significant covalent bonding or a strong preference for octahedral coordination in pyrochlore-based materials may have a detrimental effect on ionic conductivity.

AB - The system Y2Sn2-xZrxO7 (0.0 1.4, but the spectra also suggest the presence of residual order due to the modulated structure. The phase transformation in this system occurs at a higher Zr content than predicted by classical radius ratio models, consistent with the covalent character of Sn-O bonding. An unusual finding of this work comes from Sn-119 MAS NMR and Sn L-3-edge XANES analyses, indicating that Sn4+ prefers to occupy lattice sites with a 6-fold local coordination environment throughout the series. These results suggest that the incorporation of Sn or other metal cations having significant covalent bonding or a strong preference for octahedral coordination in pyrochlore-based materials may have a detrimental effect on ionic conductivity.

KW - DIFFRACTION

KW - CUBIC-STABILIZED ZIRCONIA

KW - ORDER-DISORDER PHENOMENA

KW - SYSTEM

KW - RAMAN-SPECTROSCOPY

KW - RARE-EARTH

KW - CRYSTAL-CHEMISTRY

KW - A(2)B(2)O(7)

KW - RADIATION TOLERANCE

KW - OXIDE FUEL-CELLS

U2 - 10.1039/c3ra22704a

DO - 10.1039/c3ra22704a

M3 - Article

SN - 2046-2069

VL - 3

SP - 5090

EP - 5099

JO - RSC Advances

JF - RSC Advances

IS - 15

ER -

The pyrochlore to defect fluorite phase transition in Y2Sn2-xZrxO7

Abstract

Keywords

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Projects

High-Resolution Solid-State NMR: High-Resolution Solid-State NMR in St Andrews: Development and Applications

Cite this