Crystal structure of the ternary semiconductor compound thallium gallium sulfide, TlGaS2

Thallium gallium sulfide, TlGaS2, a semiconductor compound, was prepared by solid-state reaction technique. Its crystal structure was determined by single-crystal X-ray diffraction. This material crystallizes in the monoclinic system with space group C2/c (No. 15), Z=16Z=16 and unit cell parameters a=10.2990(8)Å, b=10.2840(8)Å, c=15.1750(18)Å, β=99.603(4)°β=99.603(4)°. The structural refinement converged to R(F)=0.0999R(F)=0.0999, R(F2)=0.0764R(F2)=0.0764 and S=1.067S=1.067. The structure consists of a three-dimensional arrangement of distorted TlS8 and GaS4 polyhedrons. Four GaS4 tetrahedra form adamantine-like units of the type Ga4S10, which in turn connect through the corners forming layers that run along the [1 0 0] direction.