Proton ordering in the Peierls-distorted hydrogen molybdenum bronze H0.33MoO3: structure and physical properties

The intercalation of hydrogen into the layered structure of MoO 3 produces four hydrogen molybdenum bronze phases H x MoO 3 (0<x<2). The correlation between the structure and the physical properties of these low-dimensional conductors has been investigated by X-ray diffraction and conductivity measurements. Powder diffraction studies revealed phase transitions as a function of temperature and hydrogen content. A new proton-distribution model describes the lattice distortions resulting from the intercalation in the whole composition range. Superstructure reflections were detected in precession photographs of single crystals of the phases I (x≃ 0.3) and III (x≃1.6)