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- W3087091599 abstract "In this paper we present the synchrotron and laboratory X-ray powder diffraction (S-XRPD) experiments made at normal conditions and also at different pressures (up to 2 GPa). Then crystal structure and equation of state (EoS) have been determined. These results are discussed together with experimental phase diagram. The binary phases of the Sn–Ti (Ti3Sn, Ti2Sn, Ti5Sn3) are often extended by a ternary addition. This was observed by us many times particularly in the Ga-Sn-Ti system where a ternary phase is observed. In the case of the Ni–Sn–Ti system, the question is still pending. Focusing on D88–Sn3Ti5 let remind that this phase is hexagonal, hP16, P63/mcm, prototype Mn5Si3. The point defect formation energies were obtained from first principles calculations. Four sublattices are introduced to account for the D88 structure and for the possibility of inserting atoms in the 2b sites of the structure P63/mcm. The 2b sites are not occupied in the stoichiometric compound at T 1⁄4 0 K. But the possibility exists that a few atoms occupy these sites at higher temperature or for off-stoichiometric alloys. For stoichiometric D88–Sn3Ti5 alloys, it was shown that the dominant thermal defects are composed of Sn atoms in interstitial positions 2b of the D88 structure and Ti atoms in antisite position on the sites preferentially occupied by Sn atoms. In the Sn-rich D88–Sn3Ti5, the constitutional defects are Sn atoms in interstitial positions. In the Ti-rich D88–Sn3Ti5, the constitutional defects are Ti atoms in antisite position. The chemical potentials as well as the Gibbs energy are obtained as function of composition for various temperatures." @default.
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- W3087091599 date "2020-11-01" @default.
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- W3087091599 title "Evidence of an ordered ternary phase in the section Ni–Ti5Sn3 of the ternary Ti–Ni–Sn: Crystal structure and phase stability" @default.
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- W3087091599 doi "https://doi.org/10.1016/j.solidstatesciences.2020.106349" @default.
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