Far-infrared and Raman studies of orthorhombic MoO3 single crystal

Molybdenum oxide (MoO3) has a unique layered structure which makes it attractive as a cathode material for rechargeable batteries. LixMoO3 is an anisotropic material with high electronic conductivity in the layers and high mobility of the alkaline atom between the layers. Single crystals of the MoO3 were grown in a two-zone furnace by conventional flux techniques. X-ray diffraction of a single crystal confirms formation of an orthorhombic structure with a corner-shared MoO6 octahedron basic entity. The lattice dynamics of the MoO3 crystal were studied by infrared and Raman polarized spectroscopy in the entire range of 10–1500 cm−1. Characteristic vibrations are discussed with reference to the orthorhombic structure. A correlation has been established between the Mo-O bonds and the MoO6 octahedron which is the basic entity of the layered structure.