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  • Title: Silica-water superstructure and one-dimensional superionic conduit in Earth's mantle.
    Author: Li J, Lin Y, Meier T, Liu Z, Yang W, Mao HK, Zhu S, Hu Q.
    Journal: Sci Adv; 2023 Sep; 9(35):eadh3784. PubMed ID: 37656794.
    Abstract:
    Water in Earth's deep interior is predicted to be hydroxyl (OH-) stored in nominally anhydrous minerals, profoundly modulating both structure and dynamics of Earth's mantle. Here, we use a high-dimensional neuro-network potential and machine learning algorithm to investigate the weight percent water incorporation in stishovite, a main constituent of the subducted oceanic crust. We found that stishovite and water prefer forming medium- to long-range ordered superstructures, featuring one-dimensional (1D) water channels. Synthesizing single crystals of hydrous stishovite, we verified the ordering of OH- groups in the water channels through optical and nuclear magnetic resonance spectroscopy and found an average H-H distance of 2.05(3) Å, confirming simulation results. Upon heating, H atoms were predicted to behave fluid-like inside the channels, leading to an exotic 1D superionic state. Water-bearing stishovite could feature high ionic mobility and strong electrical anisotropy, manifesting as electrical heterogeneity in Earth's mantle.
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