Synthesis, crystal structure and ionic conductivity of the Ba3Mo1−xWxNbO8.5 solid solution

Ba3MoNbO8.5 compound has been recently discovered as novel oxide ionic conductor with a structure that is a hybrid between 9R hexagonal perovskite and palmierite. In this work, the full substitution of Mo with W has been demonstrated as possible, without altering significantly the conductivity of the material. The crystal structure of the Ba3Mo1−xWxNbO8.5 solid solution (with x equals 0, 0.25, 0.5, 0.75 and 1) has been investigated by X-ray powder diffraction, showing a reduction of the unit cell by increasing the molybdenum content, despite the larger size of tungsten compared to molybdenum. Neutron powder diffraction measurements have been performed, indicating different levels of contribution of 9R polytype and of palmierite to the hybrid structure of the material as a function of the W-content.