Tin-, titanium-, and magnesium-doped α-Cr2O3: Characterisation and rationalisation of the structures

Ibrar Ayub, Frank J. Berry, Clive Johnson, David A. Johnson, Elaine A. Moore, Xiaolin Ren, Hisham M. Widatallah

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Abstract

Tin- and titanium-doped α-Cr2O3 have been prepared by the calcination of precipitates. Rietveld structure refinement of the X-ray powder diffraction patterns shows that the dopant metals occupy interstitial sites and partially substitute on octahedral chromium sites in the corundum-related α-Cr2O3 structure. Interatomic potential calculations show that such defects are energetically more favourable than the exclusive substitution of chromium or the occupation by the dopant of interstitial sites in α-Cr2O3 with charge balance being achieved by an appropriate number of cation vacancies. However, the attempted incorporation of magnesium within α-Cr2O3 results in the formation of spinel-related MgCr2O4. The observation is rationalised in terms of the greater thermodynamic stability of the spinel-related structure.

Original languageEnglish
Pages (from-to)141-145
Number of pages5
JournalSolid State Communications
Volume123
Issue number3-4
DOIs
Publication statusPublished - Jul 2002

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Keywords

  • A. α-CrO
  • Structure of doped α-CrO

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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