Quaternary intermetallics grown from molten aluminum: The homologous series Th2(AuxSi1-x) [AuAl2]nSi2 (n = 1, 2, 4)

S. E. Latturner, D. Bilc, S. D. Mahanti, M. G. Kanatzidis

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Abstract

An appropriate combination of Th or ThO2 with Au and Si in liquid aluminum has resulted in the formation of three new quaternary intermetallic compounds. All three materials grow as large platelike crystals and have structure types that define a new homologous series. Th2AuAl2Si3 is tetragonal, I41/amd, with unit cell parameters a = 4.2119(4) Å and c = 36.165-(5) Å. Th2Au3Al4Si2 and Th2Au5Al8Si2 both crystallize in the orthorhombic space group Cmmm, with cell parameters a = 4.266(1) Å, b = 23.574(8) Å, and c = 4.249(1) Å and a = 4.2612(8) Å, b = 35.661(7) Å, and c = 4.2487(8) Å, respectively. The Th2(AuxSi1-x) [AuAl2]nSi2 structures feature planes of parallel infinite zigzag silicon chains alternating with slabs of antifluorite type AuAl2. The AuAl2 slabs increase in thickness going from Th2AuAl2Si3 (n = 1) to Th2Au5Al8Si2 (n = 4). All three materials show temperature independent Pauli paramagnetism and metallic conductivity. Band structure calculations were carried out on each compound using density functional theory (full potential LAPW method), and the details of the density of states have been correlated with the observed data.

Original languageEnglish
Pages (from-to)1695-1705
Number of pages11
JournalChemistry of Materials
Volume14
Issue number4
DOIs
Publication statusPublished - Apr 29 2002

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ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

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