Figure 1
(a) A schematic representation of the atomic displacement for pure vibrations along the vertical axis (light and dark blue arrows) and (b) for libration around the axis perpendicular to the view (light and dark red arrows) shown for a five-atom dummy model (black dots). Lighter coloured arrows correspond to displacements with larger amplitudes. The displacements for vibration and libration are similar for small amplitudes and different for large amplitudes (b). The curvature of libration displacements with large amplitudes (b) makes them anharmonic. |