Silica-water superstructure and one-dimensional superionic conduit in Earth's mantle.

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. U

SUBMITTER: Li J 

PROVIDER: S-EPMC10854424 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature