The crystal structure of “green” Cs 2[VOF 4(H 2O)] and its relationship to “blue” Cs 2[VOF 4(H 2O)

Abstract

Crystals of a second, “green” modification of Cs 2[VOF 4(H 2O)] were obtained from aqueous solution. Their crystal structure was studied on the basis of three-dimensional X-ray data. The structure is orthorhombic, a = 8.231(3), b = 10.323(3), c = 8.497(3) Å, V = 722.0Å 3, Z = 4, space group Ccmm. The final R and R W were 0.035 and 0.048, respectively, for 421 independent reflections. As the already known “blue” modification, the present structure contains isolated, highly deformed octahedral [VOF 4(H 2O)] 2− ions with the oxygen atoms in trans positions. The cesium sublattice and the orientation of the anions to each other are completely different in both modifications. uv/VIS reflection, and ir and Raman spectra of both modifications are discussed.