UO2SO4.2.5H2O is monoclinic, space group P2(1)/c (No. 14). Two distinct uranium atoms, present as uranyl (UO2)(2+), forming uranyl pentagonal bipyramids, two distinct sulfur atoms, forming sulfate tetrahedra and 17 oxygen atoms are present in the asymmetric part of its unit-cell.
Two of oxygen atoms are water molecules bonded to the uranyl cation and one is water molecule bonded only by hydrogen-bonding. Crystal structure was refined fully anisotropically.
Vibration modes of each molecular unit in Raman and infrared spectra were tentatively assigned and discussed, regarding refined structure.