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, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

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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 - 2002

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Aluminum
Intermetallics
Molten materials
Paramagnetism
Silicon
Band structure
Density functional theory
Crystals
Liquids
Temperature

ASJC Scopus subject areas

  • Materials Chemistry
  • Materials Science(all)

Cite this

Quaternary intermetallics grown from molten aluminum : The homologous series Th2(AuxSi1-x) [AuAl2]nSi2 (n = 1, 2, 4). / Latturner, S. E.; Bilc, D.; Mahanti, S. D.; Kanatzidis, Mercouri G.

In: Chemistry of Materials, Vol. 14, No. 4, 2002, p. 1695-1705.

Research output: Contribution to journalArticle

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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) {\AA} and c = 36.165-(5) {\AA}. Th2Au3Al4Si2 and Th2Au5Al8Si2 both crystallize in the orthorhombic space group Cmmm, with cell parameters a = 4.266(1) {\AA}, b = 23.574(8) {\AA}, and c = 4.249(1) {\AA} and a = 4.2612(8) {\AA}, b = 35.661(7) {\AA}, and c = 4.2487(8) {\AA}, 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.",
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N2 - 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.

AB - 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.

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