Single-Crystal Structure Determination of Na₄P₂S₆⋅6H₂O

Author： Fincher T. LeBret G. Cleary D.A.

ISSN： 0022-4596

Source： Journal of Solid State Chemistry, Vol.141, Iss.1, 1998-11, pp. : 274-281

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Abstract

The single-crystal structure of Na₄P₂S₆⋅6H₂O is reported. Thermogravimetric analysis (23.6% weight loss) showed that Na₄P₂S₆⋅6H₂O converted to Na₄P₂S₆ as 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^-4₆ group. Na₄P₂S₆⋅6H₂O crystallized in the monoclinic space group P2(1)/c with a=25.4761(4) Å, b=7.10350(10) Å, and c=20.3282(3) Å, β=113.482°, and Z=8. The cell volume was calculated to be 3374.12(9) Å³, 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 were a=25.3961(3) Å, b=7.06480(10) Å, and c=20.22160(10) Å, β=113.431(1)°, Z=8. The -60°C-cell volume was calculated to be 3328.95(6) Å³, and the density was calculated to be 1.586 Mg/m³.