New-Type Phase Transition of Li2RuO3 with Honeycomb Structure

Abstract
A new-type structural transition has been found in Li 2 RuO 3 with a honeycomb lattice of edge-sharing RuO 6 octahedra. With decreasing temperature T , the electrical resistivity exhibits an anomalous increase at T = T c ∼540 K, suggesting the (metal-to-insulator)-like transition, and the magnetic susceptibility also shows a sharp decrease. Detailed structure analyses have revealed that the high-temperature space group C 2/ m changes to P 2 1 / m at T c . The most striking fact is that a significant reduction of the bond lengths is found between two of the six Ru–Ru pairs of the hexagon in the low-temperature phase, indicating a new-type phase transition driven by the formation of the molecular orbits of these Ru–Ru pairs.