Crystal structure of χ-AlPdRe

Abstract

The structure of the χ-AlPdRe phase was determined by single crystal X-ray diffraction: space group P31c (No.159), a = 1.23744(4) nm, c = 2.7489(1) nm, V = 3.6453(2) nm³, atoms/cell = 230, F(000) = 5138, µ = 20.199 cm⁻¹, D_calc  = 5.29 Mg m⁻³, R(F) = 0.068 for 2894 observed reflections measured by Mo K_α radiation (λ = 0.071073 nm). The structure of χ-AlPdRe is similar to that of Ir₉Al₂₈ and typical i3-clusters and pseudo-Mackay type icosahedra are well reproduced by the ordered distribution of Pd and Re.

Keywords:

• crystal structure
• X-ray diffraction
• χ-AlPdRe
• approximant

Acknowledgements

The authors wish to express their gratitude to Mr Y. Murakami, Institute for Materials Research, for his help on the EPMA analysis. A part of this work was supported by a Grant-in-Aid for challenging Exploratory Research (22656152) from the Japan Society for the Promotion of Science (JSPS).