Effect of isovalent substitution on structure of the two-slab BaNd2-xSmxIn2O7 indates

Y.A.  Titov; N.M.  Belyavina; M.S. Slobodyanik; O.I. Nakonechna; N.Yu. Strutynska; V.V. Chumak

doi:10.15330/pcss.23.4.801-808

Authors

Y.A. Titov Taras Shevchenko National University of Kyiv, Kyiv, Ukraine
N.M. Belyavina Taras Shevchenko National University of Kyiv, Kyiv, Ukraine
M.S. Slobodyanik Taras Shevchenko National University of Kyiv, Kyiv, Ukraine
O.I. Nakonechna Taras Shevchenko National University of Kyiv, Kyiv, Ukraine; Laboratory for Surface Science and Coating Technologies, EMPA − Swiss Federal Laboratories for Materials Science and Technology, Duebendorf, Switzerland
N.Yu. Strutynska Taras Shevchenko National University of Kyiv, Kyiv, Ukraine
V.V. Chumak Zhytomyr Ivan Franko state university, Zhytomyr, Ukraine

DOI:

https://doi.org/10.15330/pcss.23.4.801-808

Keywords:

compounds of An 1BnO3n 1 – type, slab perovskite-like structure, X-ray powder diffraction, isomorphism, solid solutions

Abstract

The conditions of isovalent substitution of Nd atoms for Sm atoms in A-positions of the BaNd₂In₂O₇ two-slab perovskite-like structure of the BaNd_2-xSm_xIn₂O₇ type (0 £ x £ 1.8) have determined by X-ray powder diffraction methods. Tetragonal crystal structure (space group P4₂/mnm) of the BaNd_2-xSm_xIn₂O₇ phases with substitution degree of Nd atoms equal to 0.5, 1.0, 1.5 and 1.8 was determined by the Rietveld method. Crystal structure of BaNd_2-xSm_xIn₂O₇ is based on the two-dimensional (infinite in the XY plane) perovskite-like blocks, consisting of two slabs of the deformed InO₆ octahedra connected by vertices. Ba atoms are localized only at 4f position inside the perovskite block, while REE atoms are placed only at 8j position at the boundary of the perovskite block. The adjacent perovskite-like blocks are separated by a slab of LnO₉ polyhedra and held together by - O - Ln - O - interblock bonds. It is established that the isovalent substitution of Nd atoms by smaller Sm atoms leads to a decrease in the length of the Ln - O2 distance (from 0.230(2) nm to 0.206(2) nm) and to an increase in the degree of deformation of the interblocks of LnO₉ polyhedra, the inner block polyhedra BaO₁₂, and the InO₆ octahedra as well. Such structural changes destabilize the interblock "stitching" and are one of the main destruction factors of the slab perovskite-like structure of the BaNd_2-xSm_xIn₂O₇ phases at x > 1.8. Data obtained could be used for directed regulation of structure-sensitive properties of materials based on the BaNd₂In₂O₇ indate.

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