Buckled crystalline structure of disordered mixed salts

✍ Scribed by A. Frenkel; A. Voronel; A. Katzir; M. Newville; E.A. Stern

• Book ID: 103939631
• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 163 KB
• Volume: 208-209
• Category: Article
• ISSN: 0921-4526
• DOI: 10.1016/0921-4526(94)00851-l

✦ Synopsis

Mixed salts AgBr0.6Clo.4 and their pure components were investigated by XAFS. The concentration of the mixture was chosen to produce the homogeneous phase. Detailed analysis of the Ag and Br K edge data revealed an angular deviation of bonds in the mixture from collinearity. The corresponding RMS buckling angles (11 + 2 °) were determined using the strong angular dependence of the forward scattering amplitude in double-and triple-scattering focusing paths. The XAFS results were used to perform molecular-dynamics simulations which allowed to visualize the actual structure of the mixture.