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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

23 Citations (Scopus)


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
Issue number3-4
Publication statusPublished - Jul 2002
Externally publishedYes


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

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry


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