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ligands consisting of four BO3 triangles in the case of Cambridge University Press (1995).

boron oxide glass and SiO4 tetrahedra in the borosilicate [18] F.H. Stillinger, T.A. Weber. Phys. Rev. B31, 5262 (1985).

glass. Our MD simulations reproduced the EXAFS results [19] J.-P. Blaudeau. Private communication.

and demonstrated that a U6+ ion in vitreous B2O3 and [20] J.S. Craw, M.A. Vincent, I.H. Hiller, A.L. Wallwork. J. Phys.

SiO2 matrices has strong capacity to form a crystalline-like, Chem. 99, 10 181 (1995).

ordered UO6 cluster, which consists of a linear uranyl ion [21] H.Z. Zhuang, G.K. Liu. To be published.

with additional four oxygen ions in its equatorial phane in a tetragonal symmetry. This crystalline-like cluster is very stable in the glass matrix although the UO distances vary (depending on the OB (or OSi) bonding strength). It is also observed that in the borosilicate glass uranyl primarily coordinates with four metal oxide ligand units of the same type, mainly four SiO4 tetrahedra. The model of charge transfer-lattice interaction explains the stability of the uranyl cluster of the basis of uncommonly high CTVE-pair lattice distortion. In the framework of this theoretical model, 3 , 2002, 44, .

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