Al3Aulr: A New Compound in the Al-Au-Ir System

Kadok, Joris; de Weerd, Marie-Cécile; Boulet, Pascal; Gaudry, Émilie; Grin, Yuri; Fournée, Vincent; Ledieu, Julian

doi:10.1021/acs.inorgchem.5b00946

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Al₃Aulr: A New Compound in the Al-Au-Ir System

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Grin, Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Kadok, J., de Weerd, M.-C., Boulet, P., Gaudry, É., Grin, Y., Fournée, V., et al. (2015). Al₃Aulr: A New Compound in the Al-Au-Ir System. Inorganic Chemistry, 54(16), 7898-7905. doi:10.1021/acs.inorgchem.5b00946.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0028-55ED-6

Abstract

A new ternary phase with a composition of Al3AuIr has been found in the Al-rich area of the Al-Au-Jr system. Differential thermal analysis indicates a melting point of 990 degrees C, and single-crystal X-ray diffraction measurements reveal that this ternary phase adopts a Ni2Al3 structure type (space group P (3) over bar m1) with a = 4.2584(5) A and c = 5.1991(7) A. This compound is isostructural to the Al(3)Cu(15)Coos 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 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.