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:
Online Access:http://hdl.handle.net/20.500.11937/32449