Single crystals of BaAl
2Si
2 were grown from an Al molten flux and characterized using single-crystal X-ray diffractionat 10 and 90
K and neutron diffraction at room temperature. BaAl
2Si
2 crystallizes with the
![](/images/gifchars/alpha.gif)
-BaCu
2S
2 structuretype (
Pnma), is isostructural with
![](/images/gifchars/alpha.gif)
-BaAl
2Ge
2, and is an open 3D framewor
k compound, where Al and Si form acovalent cageli
ke networ
k with Ba
2+ cations residing in the cages. BaAl
2Si
2 has a unit cell of
a = 10.070(3) Å,
b= 4.234(1) Å, and
c = 10.866(3) Å, as determined by room-temperature single-crystal neutron diffraction (R1 =0.0533, wR2 = 0.1034). The structure as determined by single-crystal neutron and X-ray diffraction (10 and 90 K)indicates that BaAl
2Si
2 (
Pnma) is strictly isostructural to other (
![](/images/gifchars/alpha.gif)
)-BaCu
2S
2-type structures, requiring site specificityfor Al and Si. Unli
ke BaAl
2Ge
2, no evidence for an
![](/images/gifchars/alpha.gif)
to
![](/images/gifchars/beta2.gif)
(BaZn
2P
2-type,
I4/
mmm) phase transition was observed.This compound shows metallic electronic resistivity and Pauli paramagnetic behavior.