Crystal structure of a new Mo₁₀Ni₃C₃B phase

Abstract

A new Mo₁₀Ni₃C₃B phase was synthesized during the liquid phase sintering of cermet Mo₂NiB₂ - Ni doped with carbon. The crystal structure of this phase has been determined by X-ray diffraction analysis and density functional theory calculations. The structure refinement indicates that a new phase has space group P63/mmc (Pearson symbol hP34) and lattice parameters a ¼ 7.8089 Å, c ¼ 7.8712 Å. Atomic coordinates of all elements are determined