Abstract

Abstract The intermetallic compound LaNi11.8–11.4Si1.2–1.6 was synthesized by arc-melting and its crystal structure was determined using powder and single-crystal X-ray diffraction data. The compound adopts the cubic CaCu6.5Al6.5-type structure (space group Fm 3 ‾ $\bar{3}$ c, Pearson code cF112, Z = 8), which is a partially ordered ternary derivative of the NaZn13 type: a = 11.256(4) Å, V = 1426.1(15) Å3, R = 0.0133, wR = 0.0285 for 93 reflections with I > 2 σ(I) for LaNi11.4Si1.6; a = 11.25486(8) Å, V = 1425.68(2) Å3, R p = 4.17%, R wp = 5.85%, R B = 3.44% for LaNi11.8Si1.2. One of its crystallographic positions (96i) is occupied by a mixture of Ni and Si atoms. The structure of this new silicide can be represented as a packing of Ni-centered icosahedra and La-centered snub cubes, which are packed in a CsCl-related manner.

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