Polymorphism in Photoluminescent KNdW2O8: Synthesis, Neutron Diffraction, and Raman Study

Abstract

Polymorphs of KNdW2O8 (α-KNdW2O8 and β-KNdW2O8) phosphors were synthesized by an efficient solution combustion technique for the first time. The crystal structure of the polymorphs analyzed from Rietveld refinement of neutron diffraction data confirms that α-KNdW2O8 crystallizes in the tetragonal system (space group I4), and β-KNdW2O8 crystallizes in the monoclinic system (space group C2/m). The local structure of both polymorphs was elucidated using combined neutron pair distribution function (PDF) and Raman scattering techniques. Photoluminescence measurements of the polymorphs showed broadened emission line width and increased intensity for β-KNdW2O8 in the visible region compared to α-KNdW2O8. This phenomenon is attributed to the increased distortion in the coordination environment of the luminescing Nd3+ ion. Combined PDF, Rietveld, and Raman measurements reveal distortions of the WO6 octahedra and NdO8 polyhedra in β-KNdW2O8. This crystal structure–photoluminescence study suggests that this class o...