Fig. 8From: Weakly bound water structure, bond valence saturation and water dynamics at the goethite (100) surface/aqueous interface: ab initio dynamical simulationsIllustration of the distance from the O center to a LPO WFC, dO-wfc, and the angle formed by the LPO WFCs and the O center Θwfc-O-wfc. Green Wannier orbitals are bonding orbitals (BO) and the blue Wannier orbitals are the lone pair orbitals (LPO)Back to article page