Structural investigation of glasses along the MgSiO3–CaSiO3 join: Diffraction studies

The structure of glasses along the MgSiO3–CaSiO3 join has been investigated by X-ray and neutron diffraction measurements. Structure models were constructed by fitting the experimental data using the Reverse Monte Carlo method (RMC). The structural data indicate a random mixing between MgSiO3 and Ca...

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Bibliographic Details
Published in:Geochimica et cosmochimica acta 2013-12, Vol.122, p.498-510
Main Authors: Cormier, L., Cuello, G.J.
Format: Article
Language:English
Subjects:
calcium
magnesium
melting
mixing
Monte Carlo method
Physics
Quantum Physics
topology
X-radiation
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Summary:The structure of glasses along the MgSiO3–CaSiO3 join has been investigated by X-ray and neutron diffraction measurements. Structure models were constructed by fitting the experimental data using the Reverse Monte Carlo method (RMC). The structural data indicate a random mixing between MgSiO3 and CaSiO3 glasses, in accordance with their melt properties. Though important disordering is observed, the structure evolves continuously along the join. The Ca environment is essentially similar for all compositions, with an average of 6 to 7-coordinated sites. The Mg environment tends to have higher coordinated sites as the MgO content decreases. There is a continuous mixing of Ca–Mg pairs with a non-random distribution emphasized by the distinct cation–cation distances. Changes were observed in the topology of the silicate network. The proportion of non-bridging oxygens decreases, the number of free-oxygens increases and the ring size distribution is shifted to high-membered rings in the Mg-rich glasses. These structural investigations indicate important differences with the crystalline pyroxene structures.
ISSN:0016-7037
1872-9533
DOI:10.1016/j.gca.2013.04.026