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Fig. 4 | Geochemical Transactions

Fig. 4

From: Weakly bound water structure, bond valence saturation and water dynamics at the goethite (100) surface/aqueous interface: ab initio dynamical simulations

Fig. 4

a The isolated surface ID slab obtained from cleaving at the termination I planes shown if Fig. 2a. The magenta colored hydrogen atom shows the alternative placement of the neutralizing hydrogen atom. b The oxygen atoms in the surface ID slab are color coded to show the coordination. Color coding: purple—hydroxide with three Fe neighbors, green—O2− with three Fe neighbors, blue—hydroxide with two Fe neighbors

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