X-ray diffraction study of metallic VO2

Abstract
Refinement of the crystal structure of VO2 at 360 and 470 K in the metallic rutile phase shows that both the vanadium and oxygen thermal displacements are larger than those found in rutile phases of TiO2 and CrO2 or monoclinic phases of VO2 or V0.976 Cr0.024 O2. The vanadium-vanadium distance along the rutile V0.976Cr0.024O2 axis is anomalously short when compared with neighboring rutile phases while the other nearest-neighbor metal-metal and metal-oxygen distances vary smoothly across the series. A comparison of Debye temperatures calculated from heat-capacity and x-ray data suggests the presence of low-lying vibrational modes in metallic VO2.