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

Research output: Contribution to journalArticle

23 Citations (Scopus)

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

Fingerprint

Tin
Chromium
Titanium
Magnesium
spinel
magnesium
chromium
tin
interstitials
titanium
Doping (additives)
substitutes
Corundum
Aluminum Oxide
Calcination
roasting
X ray powder diffraction
occupation
Diffraction patterns
Vacancies

Keywords

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

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Tin-, titanium-, and magnesium-doped α-Cr2O3 : Characterisation and rationalisation of the structures. / Ayub, Ibrar; Berry, Frank J.; Johnson, Clive; Johnson, David A.; Moore, Elaine A.; Ren, Xiaolin; Widatallah, Hisham M.

In: Solid State Communications, Vol. 123, No. 3-4, 07.2002, p. 141-145.

Research output: Contribution to journalArticle

Ayub, Ibrar ; Berry, Frank J. ; Johnson, Clive ; Johnson, David A. ; Moore, Elaine A. ; Ren, Xiaolin ; Widatallah, Hisham M. / Tin-, titanium-, and magnesium-doped α-Cr2O3 : Characterisation and rationalisation of the structures. In: Solid State Communications. 2002 ; Vol. 123, No. 3-4. pp. 141-145.
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