Single-Crystal Structure Determination of Na₄P₂S₆·6H₂O

The single-crystal structure of Na₄P₂S₆·6H₂O is reported. Thermogravimetric analysis (23.6% weight loss) showed that Na₄P₂S₆·6H₂O converted to Na₄P₂S₆as it was heated from room temperature to 80°C. The room temperature infrared spectrum of Na₄P₂S₆·6H₂O was analyzed in terms of the symmetry of the P₂S^-4₆group. Na₄P₂S₆·6H₂O crystallized in the monoclinic space groupP2(1)/cwitha=25.4761(4) Å,b=7.10350(10) Å, andc=20.3282(3) Å,β=113.482°, andZ=8. The cell volume was calculated to be 3374.12(9) ų, and the density was calculated to be 1.565 Mg/m³. The single crystal structure was also solved at -60°C. The low temperature crystal data werea=25.3961(3) Å,b=7.06480(10) Å, andc=20.22160(10) Å,β=113.431(1)°,Z=8. The -60°C-cell volume was calculated to be 3328.95(6) ų, and the density was calculated to be 1.586 Mg/m³.