Incorporation mechanisms and infrared absorption coefficients of water in MgSiO3 orthoenstatite clarified via comprehensive NMR and vibrational spectroscopic measurements, and first-principles calculations

Xianyu Xue,Masami Kanzaki, Abd-Erraouf Djirar, Chris Gregson

Contributions to Mineralogy and Petrology（2024）

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摘要

We performed 1H and 29Si NMR and infrared measurements, and first-principles calculations to clarify the nature of OH defects in MgSiO3 orthoenstatite. An orthoenstatite sample synthesized at 7 GPa and 1200 °C from a composition of MgSiO3 + 0.1 wt

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关键词

Water,Orthopyroxene,Hydrogen bonding,NMR,Vibrational spectroscopy,First-principles calculation

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