COMPARATIVE-STUDY OF THE CRYSTAL-STRUCTURE OF SYNTHESIZED CUGA1-YINYTE2 COMPOUNDS

The Rietveld method for structure refinement has been used to study th e synthesized CuGaTe2, CuGa0.8In0.2Te2, CuGa0.5In0.5Te2, CuGa0.2In0.8T e2, CuInTe2 compounds. The discrepancy index are under 0.0806 for R(p) , 0.1043 for R(wp) 0.0849 for R(B), and 0.1460 for R(F). The derived s tructural parameters at 26.5-degrees-C follows linear regression laws: a=(0.602 22+0.016 25y) nm and c=(1.194 95+0.045 06y) nm, where y is t he In contents. Both the ratio between lattice parameters eta=c/2a and the anion displacements x[Te] diminish with the increase of In conten ts. Introducing In in CuGaTe2 produces an interchange in the geometric al behavior (bond distances) between Cu and Ga atoms. The distortion o f Te tetrahedra increases with the In contents.