X-ray powder diffraction data for calcium galactarate tetrahydrate CaC6H8O8 center dot 4H(2)O and Rietveld refinement of the crystal structure

The powder pattern of calcium galactarate tetrahydrate (CaC6H8O8. 4H(2)O) i s presented. The compound was found in white wine stored for 4 years. A Rie tveld refinement using the atomic coordinates from a single crystal study a s starting values was refined with 55 parameters and without preferred orie ntation to R-B = 5.97%, R-F = 4.44%, R-p = 10.39%, and R-wp = 13.43% for 84 reflections. Crystal data: M-r = 320.14, orthorhombic, Pcan, a = 7.3359(1) Angstrom, b = 11.6296(3) Angstrom, c = 15.0978(6) Angstrom, V = 1288.05(6) Angstrom(3), Z = 4, D-x = 1.651 g/cm(3), lambda(CuK alpha(1)) = 1.54060 An gstrom, mu = 46.76 cm(-1). (C) 2000 International Centre for Diffraction Da ta. [S0885-7156(99)00703-4].