Synthesis and crystal structure of two-slab scandates BaLa2–xDyxSc2O7




compounds of An 1BnO3n 1 type, slab perovskite-like structure, interblock distances, polyhedron deformation


The conditions of isovalent substitution of La atoms for Dy atoms in A-positions of the BaLa2Sc2O7 two-slab perovskite-like structure of the BaLa2–xDyxSc2O7 type (0 ≤ x ≤ 1.0) have determined by  X-ray powder diffraction methods. Tetragonal crystal structure (space group P42/mnm) of the BaLa2–xDyxSc2O7 phases with x equal to 0.2, 0.4, 0.5, 0.6, 0.8 and 1.0 was determined by the Rietveld method. Crystal structure of BaLa2–xDyxSc2O7 is based on the two-dimensional (infinite in the XY plane) perovskite-like blocks, consisting of two slabs of the deformed ScO6 octahedra connected by vertices. Adjacent blocks are shifted in relation to each other by half an edge of the perovskite cube and are alternated with one another in the direction of Z axis. The calculation of the valence bond sums of the Ba, La, and Dy atoms in the BaO9, BaO12, (La2–xDyx)O9  and (La2–xDyx)O12  poly- hedra showed an ordered distribution of the Ba and REE atoms in the slab perovskite-like structure of BaLa2–xDyxSc2O7. 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 sepa- rated by a slab of (La,Dy)О9 polyhedra and held together by —O—(La,Dy)— O— interblock bonds. It is estab- lished that the isovalent substitution of La atoms by Dy atoms leads to decrease the length of the (La,Dy)—O2 interblock distance, increase the degree of deformation of the interblocks (La,Dy)О9 polyhedra and to decrease the degree of the ScO6 octahedra deformation.


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Alexandrov, K. S. & Beznosikov, B. V. (2004). Perovskites. Present and future. Novosibirsk: Izd-vo SO RAN (in Russian).

Kim, I. S., Nakamura, T. & Itoh, M. (1993). Humidity sensing effects of the layered oxides SrO·(LaScO3)n(n = 1,2, ∞). J. Ceram. Soc. Jap., 101, Iss. 1175, pp. 800-803.

Titov, Y., Belyavina, N., Slobodyanik, M., Nakonechna, O. & Strutynska, N. (2021). Effect of strontium atoms substitution on the features of two-slab structure of Sr1-xCaxLa2Sc2O7 scandates. French-Ukrainian Journal of Chemistry, 9, No. 1, pp. 44-50.

Titov, Y. O., Belyavina, N. M., Slobodyanik, M. S., Chumak, V. V. & Nakonechna, O. I. (2019). Synthesis and crystal structure of isovalently substituted slab SrLa2-xDyxSc2O7 scandates.. Voprosy khimii i khimicheskoi tekhnologii, No. 6, pp. 228-235 (in Ukrainian).

Dashevskyi, M., Boshko, O., Nakonechna, O. & Belyavina, N. (2017). Phase transformations in equiatomic Y-Cu powder mixture at mechanical milling. Metallofiz. Noveishie Tekhnol., 39, No. 4, pp. 541-552.

Titov, Y. O., Belyavina, N. M., Markiv, V. Ya., Slobodyanik, M. S., Krayevska, Ya. A., Yaschuk, V. P. & Chumak, V. V. (2009). Synthesis and crystal structure of BaLn2Sc2O7. Dopov. Nac. akad. nauk Ukr., No. 5, pp.172-178 (in Ukrainian).

Shannon, R. D. (1976). Revised effective ionic radii and systematic studies of interatomic distances in halides and halcogenides. Acta Cryst., A32, No. 5, pp. 751-767.

Brown, I. D. & Altermatt, D. (1985). Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database. Acta Cryst., B41, No. 4, pp. 244-247.



How to Cite

Titov, Y. ., Chumak, V. ., & Tymoshenko, M. (2022). Synthesis and crystal structure of two-slab scandates BaLa2–xDyxSc2O7. Reports of the National Academy of Sciences of Ukraine, (3), 68–76.

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