Abstract—

The composition and structure of a new compound, Ni_3.35W_9.65C₄, 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.

中文翻译：

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Ni–W–C系统中新相的X射线衍射研究

摘要-

通过比较X射线粉末衍射，晶体化学建模和密度泛函量子化学计算（VASP程序）结果，确定了新化合物Ni _3.35 W _9.65 C ₄的组成和结构。通过自蔓延的高温合成冶金方法，通过放热的WO ₃ + NiO + Ca + Al + C混合物的燃烧，制备了呈浇铸形式的化合物。