CRYSTAL STRUCTURE AND VIBRATIONAL PROPERTIES OF Ca3Co2−xFexO6 (x = 0.4-1.0)

The crystal structure and vibrational properties of iron-doped cobaltites Ca3Co2−xFexO6 at an iron concentration range x = 0.4-1.0 were studied by X-ray diffraction and Raman spectroscopy. The evolution of lattice parameters, bond lengths and angles with respect to the iron concentration was studied. Structural data indicate that iron occupies predominantly prismatic structural units. At the same time, Raman spectroscopy data indicate the possible penetration of small amount of iron into octahedral positions at concentrations above 0.7.