EXAFS and Molecular Dynamics combined study of CaO − FeO − 2SiO2 glass. New insight into site significance in silicate glasses

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2000 EDP Sciences
, , Citation S. Rossano et al 2000 EPL 49 597 DOI 10.1209/epl/i2000-00192-1

0295-5075/49/5/597

Abstract

A new and coherent view of the local environment of Fe2+ in silicate glasses is derived from a combined study by EXAFS and Molecular Dynamics simulation. Iron is located in distorted sites, whose geometry varies continuously from a tetrahedron to a triangular bipyramid. Iron polyhedra are apex-connected to the silicate network, while edge-linked to each other, matching with a random distribution of iron in the glass. Fe2+ does not have the significance of a network-forming element. Its local structure results from the freezing of dynamical exchange processes occurring in the liquid.

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10.1209/epl/i2000-00192-1