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Observation of hidden magnesium: First-principles calculations and 25Mg solid-state NMR of enstatite

Griffin, J.M.; Berry, Andrew; Ashbrook, Sharon E.

Description

25Mg NMR parameters have been determined for two polymorphs of enstatite (MgSiO3), an important magnesium silicate phase present as a major component of the Earths upper mantle. The crystal structures of both polymorphs contain two crystallographically distinct magnesium sites; however, only a single resonance is observed in 25Mg MAS NMR spectra recorded at 14.1 and 20.0 T. First-principles calculations performed on geometry-optimised crystal structures reveal that the quadrupolar interaction...[Show more]

CollectionsANU Research Publications
Date published: 2011
Type: Journal article
URI: http://hdl.handle.net/1885/78848
Source: Solid State Nuclear Magnetic Resonance
DOI: 10.1016/j.ssnmr.2011.08.004

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