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Crystal structure of UO2SO4.2.5H2O: Full anisotropic refinement and vibration characteristics

Publication at Faculty of Science |
2009

Abstract

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.