Structure and powder diffraction pattern of 2,4,6-trimercapto-s-triazine, trisodium salt (Na3S3C3N3 center dot 9H2O)

2,4,6-Trimercapto-s-triazine, trisodium salt (ideally, Na3S3C3N3 . 9H(2)O), also known as TMT-55, is a white powder that is used to precipitate heavy metals from contaminated waters. Chemical analyses confirmed the nominal composition. TMT-55 crystals are uniaxial negative with indices of refraction (25 degrees C) of n(epsilon)=1.520 and n(omega)=1.675. The structure was determined by single-crystal methods at 25 and -110 degrees C. A powder pattern was determined and compared to a simulated pattern based on the 25 degrees C structure data. Crystal data at 25 degrees C are: <R(3)over bar>; Z=6; a=17.600(1) Angstrom and c=9.720(2) Angstrom; V=2607.5(5) Angstrom(3); D-x=1.55 g/cm(3). (C) 1997 International Centre for Diffraction Data.