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(Au
x
Si1
-
x
)[AuAl2]
n
Si2
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.