Preparation and crystal structure analysis of a new noibium oxide

Abstract

A new potassium barium niobium oxide, K7.81Ba2.19Nb12.18O36.5 was prepared by high temperature reaction and the crystal structure was determined by single crystal X-ray diffraction analysis. This niobium oxide crystallized to the hexagonal space group P6/mmm(#191) with the lattice parameters of a=21.109(4) and c=3.967(4) Å and the final R-factors were R=0.043 and Rw=0.043 for 508 unique diffractions. The crystal structure has the framework formed by edge- and corner sharing of NbO6 octahedra, which is the same as that of the hexagonal BaTa206.