Synthesis, crystal structure, and properties of an energetic compound [Zn(1, 5-diaminotetrazole)₆](ClO₄)₂

An environmentally friendly energetic coordination compound [Zn(DAT)₆](ClO₄)₂ (DAT= 1, 5-diaminotetrazole) has been synthesized by using DAT as ligand, characterized by elemental analysis and FT-IR spectroscopy. The single crystal structure of the title compound was determined by applying X-ray single crystal diffraction, which shows that the crystal belongs to trigonal crystal system with space group P3̄, and its crystal parameters: a=b=1.18398(9) nm, c=0.65700(10) nm, γ=120°, V=0.79760(15) nm³, and Z=1. There are one Zn²⁺, six DAT molecules and two ClO₄^- in the minimum asymmetric unit of the title compound. The central zinc(II) cation is coordinated by six N atoms from six DAT molecules to form a six-coordinated and distorted octahedral structure. Thermal decomposition mechanism of [Zn(DAT)₆]-(ClO₄)₂ was predicted based on DSC, TG-DTG and FT-IR analysis results. Also the kinetic parameters of the first exothermic process and sensitivities of the title compound have been studied. The result shows that the title compound has good friction sensitivity.