X-Ray Diffraction Study of a New Phase in the Ni–W–C System

Abstract— The composition and structure of a new compound, Ni3.35W9.65C4, have been determined by comparing X-ray powder diffraction, crystal-chemical modeling, and density functional quantum-chemical calculation (VASP program) results. The compound, in cast form, has been prepared by a self-propagating high-temperature synthesis metallurgy method via combustion of an exothermic WO3 + NiO + Ca + Al + C mixture.