Structure and dielectric characterization of a new A-site deficient La{sub 5/3}MgTaO{sub 6} perovskite

• Published in: Journal of solid state chemistry 2007-01, Vol.180 (1)
• Main Authors: Khalyavin, D.D., Senos, A.M.R., Mantas, P.Q., Argyriou, D.N., Tarroso Gomes, I., Vieira, L.G., Ribeiro, J.L.
• Format: Article
• Language: English
• Subjects: ABSORPTION SPECTROSCOPY; DIELECTRIC MATERIALS; DIELECTRIC PROPERTIES; ELECTRON DIFFRACTION; FREQUENCY RANGE; INFRARED SPECTRA; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; LANTHANUM COMPOUNDS; MAGNESIUM COMPOUNDS; MAGNESIUM IONS; MICROWAVE RADIATION; MONOCLINIC LATTICES; NEUTRON DIFFRACTION; OXIDES; PEROVSKITE; SPACE GROUPS; STRUCTURAL MODELS; SYMMETRY; TANTALUM COMPOUNDS; TANTALUM IONS; VACANCIES; X-RAY DIFFRACTION
• ISSN: 0022-4596; 1095-726X
• DOI: 10.1016/j.jssc.2006.09.016

The crystal structure of new A-site deficient La{sub 5/3}MgTaO{sub 6} perovskite was investigated by neutron, X-ray and electron diffraction. Neutron and X-ray powder diffraction spectra were refined in the monoclinic I2/m space group, with the parameters of the unit cell a=5.6304(2)A, b=5.6226(2)A, c=7.9434(2)A and {beta}=90.04(1){sup o}. This structural model presumes a random distribution of the vacancies and takes into account both a rock salt-type Mg{sup 2+}/Ta{sup 5+} cation ordering and a{sup -}a{sup -}c{sup 0} configuration of the octahedral tilting. Electron diffraction showed that the crystal structure is more complex at the local level due to a short-range vacancy ordering. This observation in combination with the symmetry analysis leads to the conclusion that the C2/m symmetry with 2{radical}2a{sub p}x2{radical}2a{sub p}x2a{sub p} supercell is more adequate for the description of the crystal structure in the local level. Dielectric measurements performed in a wide frequency range were correlated with the crystal structure and compared with other ordered double perovskites. Far-infrared spectroscopy was used to characterize the lattice contribution to the dielectric response at the microwave frequencies. The complex dielectric function was evaluated and extrapolated down to the gigahertz range. The effect of the vacancies on the intrinsic dielectric losses is discussed based on the spatial phonon correlation model.