The new nonlinear optical crystal CsV2O5 has been synthesized by solid state reaction and characterized by single-crystal X-ray diffraction and thermogravimetric analysis. The crystal CsV2O5 crystallizes in the orthorhombic system with space Ima2 space group. It is a layered structure that is very flat and strongly parallel to c. The striking structural feature is that the V atom in single crystallographic site has two different valence states (V4+ and V5+). The [V2O5]n layer consists of corner-linked tetrahedron. The six tetrahedrons lie very nearly in the same z-plane forming almost regular hexagons. The Kurtz powder SHG measurement, using 1064 nm radiation, showed that the second-harmonic generation efficiency of CsV2O5 is about six times that of KDP.
View of the structure of CsV2O5, corner-connected VO4 triangular pyramids interspersed with layers Cs ions.