THE ROLE OF IDEAL AND REAL CRYSTAL-STRUCTURE IN THE SOLID-STATE DECOMPOSITION OF SILVER OXALATE - EXPERIMENTAL DIFFRACTION STUDIES AND THEORETICAL CALCULATIONS

The results of a single-crystal structure solution and refinement for silver oxalate are reported. Possible anion-anion, cation-cation and a nion-cation interactions in the crystal and their role in the solid-st ate decomposition are discussed on the basis of (i) a detailed analysi s of the Ag2C2O4 crystal structure, (ii) a statistical analysis of dat a from Cambridge Structural Database and (iii) ab initio calculations. The role of interstitial silver cations in the decomposition of silve r oxalate is also considered from a structural point of view.