Sub-1-Angstrom-Resolution Imaging Reveals Phase Contrast Transition in Ice Ih Caused by Basal Stacking Faults

Abstract

Phase-contrast transmission electron microscopy (TEM) of hexagonal ice (Ih) along [0001] sometimes shows a honeycomb-like pattern, often interpreted as individual oxygen columns in single crystals. Here, we show that this pattern commonly arises from intrinsic basal stacking faults instead. A translational boundary separating domains of comparable thickness, with an in-plane offset of $(\frac{2}{3} a_{1} + \frac{1}{3} a_{2})$, produces this honeycomb-like contrast. Stacking domains translated in nonequivalent directions yields patterns resembling cubic ice (Ic) along [111] but with a 3-fold symmetry. We imaged this structure at a record-breaking line resolution of 89 picometers, finer than the O-H covalent bond length. These findings highlight the defect tolerance of ice's molecular packing and clarify the structural relationships among hexagonal, stacking-disordered, and cubic ice phases. This resolution milestone opens new avenues for characterizing subtle structural perturbations of water in the solid state.