Dy. Naumov et al., REDETERMINATION OF THE CRYSTAL-STRUCTURE OF POTASSIUM PEROXODISULFATE(K2S2O8), Journal of structural chemistry, 38(5), 1997, pp. 772-778
The crystal structure of potassium peroxodisulfate was determined. The
crystals are triclinic, a = 5.115(1), b = 7034(2), c = 5.505(1) Angst
rom, alpha = 106.32(2), beta = 90.18(2), gamma = 106.12(2)degrees, V-c
ell = 181.90(7) Angstrom(3), space group P (1) over bar, Z = 1, d(calc
) = 2.468 g/cm(3) [''Syntex P2(1),'' gamma CuKalpha, 994 reflections m
easured in a whole sphere to 2 theta(max) = 114 degrees including 496
independent reflections (R-int = 0.0571), R(F) = 0.0391, wR(F-2) = 0.0
933 for 486 F-hkl > 4 sigma(F)]. An absorption correction (mu = 171.37
cm(-1)) was applied taking into account the shape and size of the cry
stal using data about face indices. The representativity of the single
crystal was proven by comparing the experimental and calculated diffr
actograms. The geometrical characteristics of S2O82-: S-O 1.645(2), S
= O 1.421(3)-1.429(2), O-O 1.495(5) Angstrom, S-O-O 106.2(2)degrees.