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

被引：99

作者：

Guignard, Marie ^{[1
]}

Cormier, Laurent ^{[1
]}

机构：

[1] Univ Paris 07, Univ Paris 06, Inst Mineral & Phys Millieux Condenses, CNRS,UMR 7590,IPGP, F-75015 Paris, France

来源：

CHEMICAL GEOLOGY | 2008年 / 256卷 / 3-4期

关键词：

MgO-Al2O3-SiO2; glasses; Structure; Neutron diffraction; X-ray diffraction; Molecular Dynamics;

D O I：

10.1016/j.chemgeo.2008.06.008

中图分类号：

P3 [地球物理学]; P59 [地球化学];

学科分类号：

0708 [地球物理学]; 070902 [地球化学];

摘要：

The structure of six glass compositions in the MgO-Al2O3-SiO2 system was 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 angstrom 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 high-coordinated Al in agreement with Al-27 Nuclear Magnetic Resonance results. The Reverse Monte Carlo models were used to interpret the structural role of Mg and Al. The Al-[5] species show a trend to be localized in the same regions, which have important implications to quantify the Si/Al ordering in aluminosilicate glasses and melts. (c) 2008 Elsevier B.V. All rights reserved.

引用

页码：111 / 118

页数：8

共 68 条

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