BUCKLED CRYSTALLINE-STRUCTURE OF DISORDERED MIXED SALTS

Mixed salts AgBr0.6Cl0.4 and their pure components were investigated b y XAFS. The concentration of the mixture was chosen to produce the hom ogeneous phase. Detailed analysis of the Ag and Br K edge data reveale d an angular deviation of bonds in the mixture from collinearity. The corresponding RMS buckling angles (11 +/- 2 degrees) were determined u sing the strong angular dependence of the forward scattering amplitude in double- and triple-scattering focusing paths. The XAFS results wer e used to perform molecular-dynamics simulations which allowed to visu alize the actual structure of the mixture.