Al3AuIr: A New Compound in the Al–Au–Ir System

Abstract : A new ternary phase with a composition of Al3AuIr has been found in the Al-rich area of the Al–Au–Ir system. Differential thermal analysis indicates a melting point of 990 °C, and single-crystal X-ray diffraction measurements reveal that this ternary phase adopts a Ni2Al3 structure type (space group P3̅m1) with a = 4.2584(5) Å and c = 5.1991(7) Å. This compound is isostructural to the Al3Cu1.5Co0.5 phase also found in the Al-rich part of the Al–Cu–Co ternary diagram. Experimental evidence combined with ab initio calculations point toward an Al3AuIr phase stabilized by a Hume–Rothery mechanism. Quantum chemical calculations indicate two-center and multicenter interactions in the Al3AuIr phase. Layered distribution of two-center interactions separated by regions with four- and five-center bonds suggests a preferential cleavage of the material at puckered planes perpendicular to the [001] direction.
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Article dans une revue
Inorganic Chemistry, American Chemical Society, 2015, 54(16) (pp 7898–7905), <10.1021/acs.inorgchem.5b00946>
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https://hal.inria.fr/hal-01218370
Contributeur : Emilie Gaudry <>
Soumis le : mercredi 21 octobre 2015 - 09:22:55
Dernière modification le : mercredi 11 mai 2016 - 01:05:43

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J. Kadok, M.-C. De Weerd, P. Boulet, É. Gaudry, Yu. Grin, et al.. Al3AuIr: A New Compound in the Al–Au–Ir System. Inorganic Chemistry, American Chemical Society, 2015, 54(16) (pp 7898–7905), <10.1021/acs.inorgchem.5b00946>. <hal-01218370>

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