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

✍ Scribed by Vojtěch Vlček; Jiří Čejka; Ivana Císařová; Viktor Goliáš; Jakub Plášil

• Publisher: Elsevier Science
• Year: 2009
• Tongue: English
• Weight: 239 KB
• Volume: 936
• Category: Article
• ISSN: 0022-2860
• DOI: 10.1016/j.molstruc.2009.07.017

✦ Synopsis

UO 2 SO 4 Á2.5H 2 O is monoclinic, space group P2 1 /c (No. 14), unit-cell parameters of a = 6.7260(1)Å, b = 12.4210(2)Å, c = 16.8270(3)Å, b = 90.781(1)°with unit-cell volume V = 1405.66(4)Å 3 , Z = 8, D calc = 3.84 g/cm 3 . Two distinct uranium atoms, present as uranyl (UO 2 ) 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. Inferred U-O lengths and hydrogen bond lengths are consistent with the crystal structure refinement.