Incorporation of Y and REEs in aluminosilicate garnet: Energetics from atomistic simulation

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Incorporation of Y and REEs in aluminosilicate garnet: Energetics from atomistic simulation

Yttrium and the rare-earth elements (Y+REEs) are incorporated into aluminosilicate garnet as trivalent ions replacing divalent Mg, Fe, Mn, or Ca (“M2+”) in dodecahedral sites, which requires some form of coupled substitution to maintain electroneutrality. We compare the energetic costs of competing...

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Bibliographic Details
Main Authors:	Carlson, W., Gale, Julian, Wright, Kathleen
Format:	Journal Article
Published:	Mineralogical Society of America 2014
Subjects:	atomistic simulation lattice dynamics Garnet rare-earth elements yttrium
Online Access:	http://hdl.handle.net/20.500.11937/32449

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