Cubic aluminum silicides RE8 Ru12Al49Si9(AlxSi12-x) (RE = Pr, Sm) from liquid aluminum. Empty (Si,Al)12 cuboctahedral clusters and assignment of the Al/Si distribution with neutron diffraction

B. Sieve, X. Z. Chen, R. Henning, P. Brazis, C. R. Kannewurf, J. A. Cowen, A. J. Schultz, M. G. Kanatzidis

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Two new quaternary aluminum silicides, RE8Ru12Al49Si9 (AlxSi12-x) (x ∼ 4; RE = Pr, Sm), have been synthesized from Sm (or SM2O3), Pr, Ru, and Si in molten aluminum between 800 and 1000 °C in sealed fused silica tubes. Both compounds form black shiny crystals that are stable in air and NaOH. The Nd analog is also stable. The compounds crystallize in a new structural type. The structure, determined by single-crystal X-ray diffraction, is cubic, space group Pm3m with Z = 1, and has lattice parameters of a = 11.510(l) Å for Sm8Ru12Al49Si9 (AlxSi12-x) and a = 11.553(2) Å for Pr8Ru12Al49Si9 (AlxSi12-x (x ∼ 4). The structure consists of octahedral units of AlSi6 at the cell center, Si2RU4Al8 clusters, at each face center, SiAl8 cubes, at the middle of the cell edges, and unique (Al,Si)12 cuboctohedral clusters, at the cell corners. These structural units are connected to each other either by shared atoms, Al - Al bonds, or Al - bonds. The rare earth metal atoms fill the space between various structural units. The Al/Si distribution was verified by single-crystal neutron diffraction studies conducted on Pr8Ru12Al49Si9 (AlxSi12-x). Sm8Ru12Al49Si9 (AlxSi12-x) and Pr8Ru12-Al49Si9 (AlxSi12-x) show ferromagnetic ordering at Tc ∼10, and ∼20 K, respectively. A charge of 3+ can be assigned to the rare earth atoms while the Ru atoms are diamagnetic.

Original languageEnglish
Pages (from-to)7040-7047
Number of pages8
JournalJournal of the American Chemical Society
Issue number29
Publication statusPublished - Oct 1 2001


ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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