Environments of Mg and Al in MgO–Al2O3–SiO2 glasses: A study coupling neutron and X-ray diffraction and Reverse Monte Carlo modeling - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Chemical Geology Année : 2008

Environments of Mg and Al in MgO–Al2O3–SiO2 glasses: A study coupling neutron and X-ray diffraction and Reverse Monte Carlo modeling

Résumé

The structure of six glass compositions in theMgO–Al2O3–SiO2 systemwas investigated using neutron and X-ray diffraction. Reverse Monte Carlo modeling was used to reproduce experimental structure factors derived from diffraction experiments. The environment of Mg was determined and corresponds to an average of 5.1±0.1 oxygens at a mean distance of 2.00±0.02 Å with little change as the compositions vary. Tetrahedral, pentahedral and octahedral polyhedra are found with a majority of MgO5. The Al environment reveals the presence of highcoordinated Al in agreement with 27Al Nuclear Magnetic Resonance results. The Reverse Monte Carlo models were used to interpret the structural role of Mg and Al. The [5]Al species showa trend to be localized in the same regions, which have important implications to quantify the Si/Al ordering in aluminosilicate glasses and melts
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Dates et versions

hal-00346395 , version 1 (11-12-2008)

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  • HAL Id : hal-00346395 , version 1

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Marie Guignard, Laurent Cormier. Environments of Mg and Al in MgO–Al2O3–SiO2 glasses: A study coupling neutron and X-ray diffraction and Reverse Monte Carlo modeling. Chemical Geology, 2008, 256, pp.111-118. ⟨hal-00346395⟩
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