Geoscience material structures prediction via CALYPSO methodology
Hermann Andreas
       

High-pressure crystal structures of AlOOH. (a) δ-AlOOH, (b) pyrite-type AlOOH- Pa 3 ¯ , (c) AlOOH- P 2 1 / c . Al (O,H) atoms are blue (red, pink) spheres, respectively. Al polyhedra and O–H–O hydrogen bonds are shown.