Preparation and Investigation of Compounds with the 114-Type Structure in the Y-Sc-Ba-Co-O System

M. Yu Kameneva, L. P. Kozeeva, A. N. Lavrov, V. Yu Komarov, N. V. Podberezskaya, B. M. Kuchumov, N. A. Rudina

Research output: Contribution to journalArticlepeer-review


The processes of phase formation in the Y-Ba-Co-O system doped with scandium are studied in the region of compositions 1:1:4:7. The mechanism of interaction of initial reagents changes with scandium concentration: at low scandium contents, the (Y1−yScy)BaCo4O7+x (R114) doped oxide is formed, similarly to the undoped system, through the YBaCo2O5+x (R112) phase; at significantly higher scandium contents (≥0.2), the role of the intermediate and the competing phase is played by BaCo1−yScyO3−x representing a number of solid solutions which are stable in wide ranges of temperatures and scandium contents. It is shown that scandium in the R114 structure preferably occupies the yttrium position (Y1−yScyBaCo4O7+x), and the maximum degree of substitution is ymax ≈ 0.3–0.35. When yttrium is substituted with a smaller (in terms of ionic radii) scandium atom, the size of the unit cell diminishes nearly isotropically, the maximum change of its volume being 2.0% (from 353.0 Å3 to 345.9 Å3).

Original languageEnglish
Pages (from-to)29-43
Number of pages15
JournalJournal of Structural Chemistry
Issue number1
Publication statusPublished - 1 Jan 2020


  • cationic substitutions
  • ceramics
  • cobaltates
  • crystal structure
  • phase formation
  • Sc
  • single crystals
  • LU

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