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

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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Additional Info

Field Value
Source ISSN: 0295-5075
Author Rossano, Stéphanie, Ramos, A., Delaye, J.-M., Creux, S., Filipponi, A., Brouder, Ch., Calas, G.
Maintainer CCSD
Last Updated May 9, 2026, 22:12 (UTC)
Created May 9, 2026, 22:12 (UTC)
Identifier hal-00085708
Language en
contributor Institut de minéralogie et de physique des milieux condensés (IMPMC) ; Université Pierre et Marie Curie - Paris 6 (UPMC)-Université Paris Diderot - Paris 7 (UPD7)-Institut de Physique du Globe de Paris (IPG Paris)-Centre National de la Recherche Scientifique (CNRS)
creator Rossano, Stéphanie
date 2000-05-09T00:00:00
harvest_object_id d4fa2f55-4222-4183-b334-5dc19fb23159
harvest_source_id 3374d638-d20b-4672-ba96-a23232d55657
harvest_source_title test moissonnage SELUNE
metadata_modified 2025-05-12T00:00:00
relation info:eu-repo/semantics/altIdentifier/doi/10.1209/epl/i2000-00192-1
set_spec type:ART