Abstract
The crystal structure of Y3TaNi6+xAl26 (refined composition Y4TaNi6+[7]Al20+[6]) was determined by single-crystal X-ray diffraction (λ(Mo Kα) −0.71073 A. μ −17.827 mm1, F(000) = 700, T = 293 K, wR = 0.015 for [8] unique reflections). This new quaternary aluminide crystallizes with a cubic structure. Pearson code cP49-12.85, (221) Pm-3m-ji'gdba, a = 8.3600(1) Å. V = 584.28(2) Å, Z = 1, M1 = 1510.25, Dx = 4.292 mg mm1. The structure of YxTaNi6+xAl26 is filled-up substitution variant of the BaHg11 structure type with one additional atom site, partly occupied (around 15%) by Ni atoms, located at the centre of a cube formed by Al atoms. Distinct atom coordinates were refined for Ni and Al atoms on a site for which mixed occupation (approximately 50% Ni/50% Al) was found. The Ta atoms centre regular Al atom cuboctahedra, and the Y atoms 20-vertex polyhedra, formed by Al and Ni atoms, similar to those observed in CeMn4Al8 and YbFe2Al10.
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