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

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...

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Bibliographic Details
Published in:Inorganic chemistry 2015-08, Vol.54 (16), p.7898-7905
Main Authors: Kadok, Joris, de Weerd, Marie-Cécile, Boulet, Pascal, Gaudry, Émilie, Grin, Yuri, Fournée, Vincent, Ledieu, Julian
Format: Article
Language:English
Subjects:
Chemical Sciences
Condensed Matter
Material chemistry
Materials Science
Physics
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Summary: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.
ISSN:0020-1669
1520-510X
DOI:10.1021/acs.inorgchem.5b00946