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Reverse Monte Carlo study of the 40Li<inf>2</inf>O-60P<inf>2</inf>O<inf>5</inf> glass
Date Issued
16-11-1999
Author(s)
Sistla, R. K.
Seshasayee, M.
Abstract
Short-range order in the ionically conducting 40Li2O-60P2O5 glass has been studied by the reverse Monte Carlo (RMC) method, using X-ray diffraction data. The initial configuration for RMC was obtained by constant volume molecular dynamics simulation. The glass matrix is made up of a three dimensional network of phosphate chains consisting of PO4 tetrahedra. This is in contrast to the simple chain structure observed in crystalline LiPO3. 60% of the oxygens are non-bridging and 87% of these form Li-O bonds at distances shorter than 2.0 Å. A small fraction of the non-bridging oxygens show double bond character with P-O distances less than 1.52 Å. Isolated P2O74- and PO43- ions are negligibly small in number. © 1999 Elsevier Science Ltd. All rights reserved.
Volume
113