Structural characterization of divalent magnesium-doped {alpha}-Fe{sub 2}O{sub 3}

Journal Article · Sun Nov 01 04:00:00 EST 1998 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1006/jssc.1998.7911· OSTI ID:305385

Berry, F J; Bohorquez, A; McManus, J; Moore, E A; Mortimer, M ^[1]; Greaves, C ^[2]

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1. Open Univ., Milton Keynes (Australia)
2. Univ. of Birmingham, Edgbaston (United Kingdom). School of Chemistry

The defect structure of divalent magnesium-doped {alpha}-Fe{sub 2}O{sub 3} has been examined by Rietveld structure refinement of the X-ray powder diffraction data. The results show that the Mg{sup 2+} ions occupy the vacant interstitial octahedral sites as well as substituting on the two adjacent octahedral Fe{sup 3+} sites in the corundum-related {alpha}-Fe{sub 2}O{sub 3} structure. The structure therefore involves a linear cluster of three Mg{sup 2+} ions replacing two Fe{sup 3+} ions. Interatomic potential calculations indicate that this is the most energetically favorable defect cluster for the system.

• OSTI ID: 305385
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 2 Vol. 140; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CRYSTAL DEFECTS
DOPED MATERIALS
EXPERIMENTAL DATA
INTERSTITIALS
IRON OXIDES
LATTICE PARAMETERS
MAGNESIUM OXIDES
X-RAY DIFFRACTION