Demands
for IR birefringent materials are increasing due to the
rapid developments of IR laser applications. Herein, two new chain
tellurides β-BaGa2Te4 and Ba5Ga2Ge3Te12 have been discovered.
β-BaGa2Te4 crystallizes in the orthorhombic
space group Imma (no. 74) with unit cell constants
of a = 23.813(3) Å, b = 11.9673(19)
Å, and c = 6.7215(9) Å, while Ba5Ga2Ge3Te12 crystallizes in the monoclinic
space group P21/c (no.
14) with unit cell constants of a = 13.6540(3) Å, b = 9.6705(2) Å, and c = 23.1134(7)
Å. The structure of β-BaGa2Te4 can
be considered to be the antiparallel arrangement of one-dimensional
(1D) [GaTe2] chains formed by edge-sharing GaTe4 tetrahedra, which are separated by Ba2+ cations. In the
crystal structure of Ba5Ga2Ge3Te12, two kinds of 1D chains, namely chain 1 ∞
1[(GaGe)3Te8] and chain 2 ∞
1[(GaGe)2Te4], are stacked
alternately and put together by the coulomb force with Ba2+ cations. In addition, First-principles calculations indicate that
β-BaGa2Te4 has a large birefringence,
∼0.325 at 2050 nm, derived from the superposition of the polarizabilities
of GaTe4 tetrahedra, implying that it has potential as
an IR birefringent material. This work may provide some guidance for
exploring new IR birefringent crystals.