Neutron Powder Diffraction Studies of Fluorite and Pyrochlore NdxZr1-xO2-x/2 Solid Solutions with 0.25<x<0.55

T. van Dijk, R.B. Helmholdt, A.J. Burggraaf

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Abstract

Neutron powder diffraction studies on stoichiometric and non-stoichiometric pyrochlore phases of the ZrO2- Nd2O3 system show remarkable differences in the occupation factor of the 8b site of space group Fd3m to which the pyrochlore phase belongs. Stoichiometric Nd2Zr2O7 can be described as a perfect pyrochlore phase in which the 8b site is either vacant or at least has a low occupation factor. The occupation factors of the 8b sites of non-stoichiometric NdxZr1-xO2-x/2 pyrochlores reveal that these contain a large degree of disorder in the anion sublattice. Best refinement results on non-stoichiometric materials are achieved when the overall structure of the non-stoichiometric pyrochlore phase is described as a hybrid phase consisting of a major volume fraction of the stoichiometric pyrochlore phase and a minor fraction of the defect fluorite phase.
Original languageEnglish
Pages (from-to)765-774
JournalPhysica status solidi B
Volume101
Issue number2
DOIs
Publication statusPublished - 1980

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Neutron powder diffraction
Fluorspar
fluorite
occupation
Solid solutions
Volume fraction
solid solutions
Negative ions
neutrons
Defects
diffraction
sublattices
disorders
anions
defects
Anions
pyrochlore

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van Dijk, T. ; Helmholdt, R.B. ; Burggraaf, A.J. / Neutron Powder Diffraction Studies of Fluorite and Pyrochlore NdxZr1-xO2-x/2 Solid Solutions with 0.25<x<0.55. In: Physica status solidi B. 1980 ; Vol. 101, No. 2. pp. 765-774.
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abstract = "Neutron powder diffraction studies on stoichiometric and non-stoichiometric pyrochlore phases of the ZrO2- Nd2O3 system show remarkable differences in the occupation factor of the 8b site of space group Fd3m to which the pyrochlore phase belongs. Stoichiometric Nd2Zr2O7 can be described as a perfect pyrochlore phase in which the 8b site is either vacant or at least has a low occupation factor. The occupation factors of the 8b sites of non-stoichiometric NdxZr1-xO2-x/2 pyrochlores reveal that these contain a large degree of disorder in the anion sublattice. Best refinement results on non-stoichiometric materials are achieved when the overall structure of the non-stoichiometric pyrochlore phase is described as a hybrid phase consisting of a major volume fraction of the stoichiometric pyrochlore phase and a minor fraction of the defect fluorite phase.",
author = "{van Dijk}, T. and R.B. Helmholdt and A.J. Burggraaf",
year = "1980",
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Neutron Powder Diffraction Studies of Fluorite and Pyrochlore NdxZr1-xO2-x/2 Solid Solutions with 0.25<x<0.55. / van Dijk, T.; Helmholdt, R.B.; Burggraaf, A.J.

In: Physica status solidi B, Vol. 101, No. 2, 1980, p. 765-774.

Research output: Contribution to journalArticleAcademic

TY - JOUR

T1 - Neutron Powder Diffraction Studies of Fluorite and Pyrochlore NdxZr1-xO2-x/2 Solid Solutions with 0.25<x<0.55

AU - van Dijk, T.

AU - Helmholdt, R.B.

AU - Burggraaf, A.J.

PY - 1980

Y1 - 1980

N2 - Neutron powder diffraction studies on stoichiometric and non-stoichiometric pyrochlore phases of the ZrO2- Nd2O3 system show remarkable differences in the occupation factor of the 8b site of space group Fd3m to which the pyrochlore phase belongs. Stoichiometric Nd2Zr2O7 can be described as a perfect pyrochlore phase in which the 8b site is either vacant or at least has a low occupation factor. The occupation factors of the 8b sites of non-stoichiometric NdxZr1-xO2-x/2 pyrochlores reveal that these contain a large degree of disorder in the anion sublattice. Best refinement results on non-stoichiometric materials are achieved when the overall structure of the non-stoichiometric pyrochlore phase is described as a hybrid phase consisting of a major volume fraction of the stoichiometric pyrochlore phase and a minor fraction of the defect fluorite phase.

AB - Neutron powder diffraction studies on stoichiometric and non-stoichiometric pyrochlore phases of the ZrO2- Nd2O3 system show remarkable differences in the occupation factor of the 8b site of space group Fd3m to which the pyrochlore phase belongs. Stoichiometric Nd2Zr2O7 can be described as a perfect pyrochlore phase in which the 8b site is either vacant or at least has a low occupation factor. The occupation factors of the 8b sites of non-stoichiometric NdxZr1-xO2-x/2 pyrochlores reveal that these contain a large degree of disorder in the anion sublattice. Best refinement results on non-stoichiometric materials are achieved when the overall structure of the non-stoichiometric pyrochlore phase is described as a hybrid phase consisting of a major volume fraction of the stoichiometric pyrochlore phase and a minor fraction of the defect fluorite phase.

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DO - 10.1002/pssb.2221010239

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JF - Physica status solidi B

SN - 0370-1972

IS - 2

ER -