Ayub, Ibrar; Berry, Frank J.; Johnson, Clive; Johnson, David A.; Moore, Elaine A.; Ren, Xiaolin and Widatallah, Hisham M.
(2002).
Tin-, titanium-, and magnesium-doped alpha-Cr2O3: characterisation and rationalisation of the structures.
Solid State Communications, 123(3-4),
pp. 141–145.
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.
| Item Type: |
Journal Article
|
| ISSN: |
0038-1098 |
| Extra Information: |
Some of the symbols may not have transferred correctly into this bibliographic record. |
| Keywords: |
alpha-Cr2O3; structure of doped alpha-Cr2O3 |
| Academic Unit/Department: |
Science > Life, Health and Chemical Sciences |
| Item ID: |
2330 |
| Depositing User: |
Users 1688 not found. |
| Date Deposited: |
17 Jul 2006 |
| Last Modified: |
02 Dec 2010 19:47 |
| URI: |
http://oro.open.ac.uk/id/eprint/2330 |
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