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

Thallium gallium sulfide, TIGaS2, 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 = 16 and unit cell parameters a = 10.2990(8)angstrom, b = 10.2840(8)angstrom, c = 15.1750(18)angstrom, beta = 99.603(4)degrees. The structural refinement converged to R(F) = 0.0999, R(F-2) = 0.0764 and S = 1.067. The structure consists of a three-dimensional arrangement of distorted T1S(8) 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 [100] direction. (c) 2006 Elsevier B.V. All rights reserved.