Abstract 4-Amino-1, 2, 4-triazol-5-one hydrate (ATO· H 2 O) was prepared and its structure was analyzed by four-circle diffraction measurement. The obtained results show that the crystal belongs to the triclinic crystal system, space group P 1 with crystal parameters a= 6.432 (1), b= 6.551 (1), c= 6.740 (1) Å; α= 68.04 (1), β= 82.18 (1), γ= 81.90 (1)°, V= 259.7 (7) Å 3; Z= 2; Dc= 1.510 g/cm 3; μ= 0.131 mm-1; F (000)= 124. ATO· H 2 O was characterized ...