Liquid alumina: detailed atomic coordination determined from neutron diffraction data using empirical potential structure refinement

C. Landron, L. Hennet, T. E. Jenkins, George Greaves, J. P. Coutures, A. K. Soper

Research output: Contribution to journalArticlepeer-review

159 Citations (SciVal)

Abstract

The neutron scattering structure factor SN(Q) for a 40 mg drop of molten alumina ( Al2O3) held at 2500 K, using a laser-heated aerodynamic levitation furnace, is measured for the first time. A 1700 atom model of liquid alumina is generated from these data using the technique of empirical potential structural refinement. About 62% of the aluminum sites are 4-fold coordinated, matching the mostly triply coordinated oxygen sites, but some 24% of the aluminum sites are 5-fold coordinated. The octahedral aluminum sites found in crystalline α-Al2O3 occur only at the 2% level in liquid alumina.
Original languageEnglish
Pages (from-to)4839-4842
Number of pages4
JournalPhysical Review Letters
Volume86
Issue number21
DOIs
Publication statusPublished - 21 May 2001

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