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The title compounds Zn 13 (Cr  x  Al 1– x  ) 27  ( x  = 0.34–0.37) were obtained by melting the pure elements at 923 K, and followed by a heat treatment at 723 K in a tantalum container. According to single crystal structural analysis, the title compounds crystallize in the rhombohedral system, adopting a new structure type ( R -3 m ,  a  = 7.5971(8),  c  = 36.816(6), for crystal  I ). Single crystal X-ray structural analysis reveals a statistical mixing of Cr/Al in their crystallographic positions. Single crystal and powder X-ray diffraction as well as energy dispersive X-ray analyses suggested the title phase to have a narrow homogeneity range. The substructure of Zn 13 (Cr  x  Al 1– x  ) 27  shows close resemblance with the Mn 3 Al 10  structure type. A bonding analysis, through crystal orbital Hamiltonian populations (COHPs), of “Cr 9 Al 18 Zn 13 ” as a representative composition indicated that both homo- and heteronuclear interactions are important for the stability of this new phase.

Zn 13 (Cr x Al 1− x ) 27 ( x = 0.34–0.37): a new intermetallic phase containing icosahedra as building units