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Structural Characterization of Divalent Magnesium-Dopedα-Fe2O3 |
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| Authors: | Frank J Berry Alberto Bohorquez Colin Greaves Julia McManus Elaine A Moore Michael Mortimer |
| Institution: | aDepartment of Chemistry, The Open University, Walton Hall, Milton Keynes, MK7 6AA, United Kingdom;bSchool of Chemistry, The University of Birmingham, Edgbaston, Birmingham, B15 2TT, United Kingdom |
| Abstract: | The defect structure of divalent magnesium-dopedα-Fe2O3has been examined by Rietveld structure refinement of the X-ray powder diffraction data. The results show that the Mg2+ions occupy the vacant interstitial octahedral sites as well as substituting on the two adjacent octahedral Fe3+sites in the corundum-relatedα-Fe2O3structure. The structure therefore involves a linear cluster of three Mg2+ions replacing two Fe3+ions. Interatomic potential calculations indicate that this is the most energetically favorable defect cluster for the system. |
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