Ion-exchanged cation site distribution in beta ''-aluminas

Citation
Yh. Wang et An. Cormack, Ion-exchanged cation site distribution in beta ''-aluminas, RADIAT EFF, 151(1-4), 1999, pp. 273-279
Citations number
10
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
RADIATION EFFECTS AND DEFECTS IN SOLIDS
ISSN journal
10420150 → ACNP
Volume
151
Issue
1-4
Year of publication
1999
Pages
273 - 279
Database
ISI
SICI code
1042-0150(1999)151:1-4<273:ICSDIB>2.0.ZU;2-#
Abstract
Static lattice computer simulations have been used to study the distributio n of Nd(III) and the alkaline earths, Ca, Sr and Ba, in ion exchanged beta" -alumina. The site preferences for Nd are found to depend on the symmetry o f the Nd-sodium vacancy complex: highly symmetric configurations favour the Na cation site, whereas lower symmetry structures lead to occupancy of the mid-oxygen site. The alkaline earths site preferences depend largely on io n size, with Ba occupying sodium sites and Ca preferring mid-oxygen positio ns. Sr is found to occupy either site, depending on the local symmetry.