Crystal structure and spectroscopic properties of A[VO2(SO4)(H2O)2] · H2O (A = K, Rb, Tl, NH4) compounds

The crystal structure of dioxovanadium(V) sulfate trihydrates A[VO2(SO4)(H2O)2] · H2O, where A is K, Rb, Tl, or NH4, has been determined based on a combination of neutron and X-ray diffraction data. The compounds are isostructural and have a monoclinic lattice (space group P21, Z = 2) with unit cell parameters a = 6.24535(8), 6.26016(7), 6.25817(5), and 6.2500(1) A; b = 9.8417(1), 9.99736(8), 9.96217(9), and 9.9742(1) A; c = 6.52113(8), 6.69303(5), 6.70379(6), and 6.70334(9) A; β = 106.99(1)°, 107.83(1)°, and 107.83(1)°, 107.99(1)°, respectively. The SO4 tetrahedra and VO4(H2O)2 octahedra share an oxygen vertex to form infinite isolated chains. Atoms A have CN = 10. IR and Raman spectroscopy data are reported.