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Appl. Sci. 2015, 5(4), 1570-1589;

Irregular Homogeneity Domains in Ternary Intermetallic Systems

Chimie Métallurgique des Terres Rares (CMTR), Institut de Chimie et des Matériaux Paris-Est (ICMPE), Centre National de la Recherche Scientifique (CNRS) Université Paris-Est Créteil, 2-8 rue Henri Dunant 94320 Thiais Cedex, France
Author to whom correspondence should be addressed.
Academic Editor: Raed Abu-Reziq
Received: 19 October 2015 / Revised: 20 November 2015 / Accepted: 25 November 2015 / Published: 4 December 2015
PDF [2629 KB, uploaded 4 December 2015]


Ternary intermetallic A–B–C systems sometimes have unexpected behaviors. The present paper examines situations in which there is a tendency to simultaneously form the compounds ABx, ACx and BCx with the same crystal structure. This causes irregular shapes of the phase homogeneity domains and, from a structural point of view, a complete reversal of site occupancies for the B atom when crossing the homogeneity domain. This work reviews previous studies done in the systems Fe–Nb–Zr, Hf–Mo–Re, Hf–Re–W, Mo–Re–Zr, Re–W–Zr, Cr–Mn–Si, Cr–Mo–Re, and Mo–Ni–Re, and involving the topologically close-packed Laves, χ and σ phases. These systems have been studied using ternary isothermal section determination, DFT calculations, site occupancy measurement using joint X-ray, and neutron diffraction Rietveld refinement. Conclusions are drawn concerning this phenomenon. The paper also reports new experimental or calculated data on Co–Cr–Re and Fe–Nb–Zr systems. View Full-Text
Keywords: phase diagrams; DFT; Rietveld; site occupancies; homogeneity domains phase diagrams; DFT; Rietveld; site occupancies; homogeneity domains

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Joubert, J.-M.; Andasmas, M.; Crivello, J.-C. Irregular Homogeneity Domains in Ternary Intermetallic Systems. Appl. Sci. 2015, 5, 1570-1589.

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