Elastic Properties of High-Symmetry Sb4O6 Cage-Molecular Crystal

The cubic-phase antimony trioxide (α-Sb2O3) is a room-temperature stable molecular crystal, composed of cage-like tetraantimony hexoxide (Sb4O6) molecules. Despite its versatile functionality, the van der Waals (vdW) bond-dominated nanomechanics is still unclear. Here, the bending plate-like linear behaviors of high-quality α-Sb2O3 nanoflakes were observed using the nanoindentation method. It is found that the cage-molecular crystal owns a very low in-plane Young's modulus of 14.9 ± 0.8 GPa and a remarkable maximum tensile strain of 6.0–8.8%, corresponding to a rupture strength of 0.89–1.31 GPa. Elucidated by the atomistic simulations, the compliant elastic modulus and the unexpectedly strong rupture strain are associated with the high-symmetry vdW bonding structure. The vdW nanomechanics is of fundamental and technological relevance to nanoelectronics.