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

— The composition and structure of a new compound, Ni 3.35 W 9.65 C 4 , 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-propagati...

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Bibliographic Details
Published inInorganic materials Vol. 56; no. 6; pp. 572 - 576
Main Authors Khomenko, N. Yu, Konovalikhin, S. V., Chuev, I. I., Guda, S. A., Silyakov, S. L., Kovalev, D. Yu
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 01.06.2020
Springer Nature B.V
Subjects
Aluminum
Calcium
Chemistry
Chemistry and Materials Science
Industrial Chemistry/Chemical Engineering
Inorganic Chemistry
Materials Science
Metallurgy
Quantum chemistry
Self propagating high temperature synthesis
X ray powder diffraction
SHS metallurgy
crystal-chemical modeling
quantum-chemical calculation
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Summary:— The composition and structure of a new compound, Ni 3.35 W 9.65 C 4 , 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 WO 3 + NiO + Ca + Al + C mixture.
ISSN:0020-1685
1608-3172
DOI:10.1134/S0020168520060072