Thermal Behavior and Micro Structure of TKX‐50

The thermal behaviour of TKX‐50 was reinvestigated in an extended temperature range by means of temperature resolved X‐ray diffraction. TKX‐50, synthesized at the Fraunhofer ICT, was identified using Rietveld‐analysis and reference data from the CCDC. Monitoring the refined crystal data versus temperature verified a highly anisotropic expansion behavior connected to a layer structure. However, the coefficients of thermal expansion (CTEs) were found at an order of magnitude higher than reported, and a slight bent of lattice parameter a was found near room temperature. At temperatures between 180 and 200 °C the decomposition of TKX‐50 started with the formation of 1 to 5 wt.% diammonium 5,5’‐bistetrazole‐1,1’‐diolate (ABTOX). Moreover, the micro structure was investigated by means of size/strain analysis and so called indexed Williamson‐Hall plot. The analysis revealed moderate micro strain and absence of size broadening. The results give rise to the hypothesis that the (010) layer structure supports a low sensitivity of TKX‐50 without impairment of the mechanical stability. The results provide a base for future quality assessment and the development of advanced products.