Analysing stacking disorder in KAg1-xAux(CN)2

The structures of a potassium- dicyanoargentate and dicyanoaurate solid solution are to be measured as a function of temperature in order to model the rearrangements between hexagonal and cubic type stacking sequences that occur in these phases. We will perform Rietveld fitting of the diffraction patterns using a stacking faulted supercell approach to properly determine the level and nature of stacking disorder as a function of composition and temperature. The family as a whole is an attractive system with which to explore mechanisms of chemical and thermal control over stacking complexity, which occurs in a wide range of systems and can influence fundamental chemical and mechanical properties. The advanced measurements provided by the ESRF and our advanced modelling will allow us to reveal structural features that are not well represented by conventional crystallographic paradigms.