In situ high-temperature X-ray and neutron powder diffraction study of cation partitioning in synthetic Mg(Fe0.5Al0.5)2O4 spinel

Nicoletta Marinoni; Davide Levy; Monica Dapiaggi; Alessandro Pavese; Ronald I. Smith

doi:10.1007/s00269-010-0377-0

In situ high-temperature X-ray and neutron powder diffraction study of cation partitioning in synthetic Mg(Fe_0.5Al_0.5)₂O₄ spinel

Nicoletta Marinoni, Davide Levy, Monica Dapiaggi, Alessandro Pavese, Ronald I. Smith

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

7 Scopus citations

Abstract

The intra-crystalline cation partitioning over T- and M-sites in a synthetic Mg(Fe,Al)₂O₄ spinel sample has been determined as a function of temperature by Rietveld structure refinements from powder diffraction data, combining in situ high-temperature neutron powder diffraction (NPD; POLARIS diffractometer, at ISIS, Rutherford Appleton Laboratory, UK), to determine the Mg and Al occupancy factors, with in situ high-temperature X-ray powder diffraction, to fix the Fe³⁺ distribution. The results obtained agree with a two-stage reaction, in which an initial exchange between Fe³⁺ and Mg, the former leaving and the latter entering tetrahedral sites, is successively followed by a rearrangement involving also Al. The measured cation distribution has then been compared and discussed with that calculated by the Maximum Configuration Entropy principle, for which only NPD patterns have been used. The cation partitioning has finally been interpreted in the light of the configuration model of O'Neill and Navrotsky.

Original language	English
Pages (from-to)	11-19
Number of pages	9
Journal	Physics and Chemistry of Minerals
Volume	38
Issue number	1
DOIs	https://doi.org/10.1007/s00269-010-0377-0
State	Published - Jan 2011
Externally published	Yes

Bibliographical note

Funding Information:
Neutron scattering beam time at ISIS was provided by the CCLRC (now STFC). The research was financially supported by Italian MURST and CNR. The authors acknowledge Prof. Umberto Russo (University of Padova, Italy) for Mössbauer measurements. The authors are indebted to the reviewers for their suggestions that have really enhanced the original manuscript.

Funding

Neutron scattering beam time at ISIS was provided by the CCLRC (now STFC). The research was financially supported by Italian MURST and CNR. The authors acknowledge Prof. Umberto Russo (University of Padova, Italy) for Mössbauer measurements. The authors are indebted to the reviewers for their suggestions that have really enhanced the original manuscript.

Funders	Funder number
MURST
Consiglio Nazionale delle Ricerche

Keywords

Cation ordering versus temperature
Neutron powder diffraction
Synthetic spinel
X-ray powder diffraction

Access to Document

10.1007/s00269-010-0377-0

Cite this

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title = "In situ high-temperature X-ray and neutron powder diffraction study of cation partitioning in synthetic Mg(Fe0.5Al0.5)2O4 spinel",

abstract = "The intra-crystalline cation partitioning over T- and M-sites in a synthetic Mg(Fe,Al)2O4 spinel sample has been determined as a function of temperature by Rietveld structure refinements from powder diffraction data, combining in situ high-temperature neutron powder diffraction (NPD; POLARIS diffractometer, at ISIS, Rutherford Appleton Laboratory, UK), to determine the Mg and Al occupancy factors, with in situ high-temperature X-ray powder diffraction, to fix the Fe3+ distribution. The results obtained agree with a two-stage reaction, in which an initial exchange between Fe3+ and Mg, the former leaving and the latter entering tetrahedral sites, is successively followed by a rearrangement involving also Al. The measured cation distribution has then been compared and discussed with that calculated by the Maximum Configuration Entropy principle, for which only NPD patterns have been used. The cation partitioning has finally been interpreted in the light of the configuration model of O'Neill and Navrotsky.",

keywords = "Cation ordering versus temperature, Neutron powder diffraction, Synthetic spinel, X-ray powder diffraction",

author = "Nicoletta Marinoni and Davide Levy and Monica Dapiaggi and Alessandro Pavese and Smith, {Ronald I.}",

note = "Funding Information: Neutron scattering beam time at ISIS was provided by the CCLRC (now STFC). The research was financially supported by Italian MURST and CNR. The authors acknowledge Prof. Umberto Russo (University of Padova, Italy) for M{\"o}ssbauer measurements. The authors are indebted to the reviewers for their suggestions that have really enhanced the original manuscript.",

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AU - Marinoni, Nicoletta

AU - Levy, Davide

AU - Dapiaggi, Monica

AU - Pavese, Alessandro

AU - Smith, Ronald I.

N1 - Funding Information: Neutron scattering beam time at ISIS was provided by the CCLRC (now STFC). The research was financially supported by Italian MURST and CNR. The authors acknowledge Prof. Umberto Russo (University of Padova, Italy) for Mössbauer measurements. The authors are indebted to the reviewers for their suggestions that have really enhanced the original manuscript.

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N2 - The intra-crystalline cation partitioning over T- and M-sites in a synthetic Mg(Fe,Al)2O4 spinel sample has been determined as a function of temperature by Rietveld structure refinements from powder diffraction data, combining in situ high-temperature neutron powder diffraction (NPD; POLARIS diffractometer, at ISIS, Rutherford Appleton Laboratory, UK), to determine the Mg and Al occupancy factors, with in situ high-temperature X-ray powder diffraction, to fix the Fe3+ distribution. The results obtained agree with a two-stage reaction, in which an initial exchange between Fe3+ and Mg, the former leaving and the latter entering tetrahedral sites, is successively followed by a rearrangement involving also Al. The measured cation distribution has then been compared and discussed with that calculated by the Maximum Configuration Entropy principle, for which only NPD patterns have been used. The cation partitioning has finally been interpreted in the light of the configuration model of O'Neill and Navrotsky.

AB - The intra-crystalline cation partitioning over T- and M-sites in a synthetic Mg(Fe,Al)2O4 spinel sample has been determined as a function of temperature by Rietveld structure refinements from powder diffraction data, combining in situ high-temperature neutron powder diffraction (NPD; POLARIS diffractometer, at ISIS, Rutherford Appleton Laboratory, UK), to determine the Mg and Al occupancy factors, with in situ high-temperature X-ray powder diffraction, to fix the Fe3+ distribution. The results obtained agree with a two-stage reaction, in which an initial exchange between Fe3+ and Mg, the former leaving and the latter entering tetrahedral sites, is successively followed by a rearrangement involving also Al. The measured cation distribution has then been compared and discussed with that calculated by the Maximum Configuration Entropy principle, for which only NPD patterns have been used. The cation partitioning has finally been interpreted in the light of the configuration model of O'Neill and Navrotsky.

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