Crystal structure of Ca5(Sc0.4Ti0.6)4Fe2As2O11

Rayko Simura, Yudai Yatsu, Naomichi Sakai, Hisanori Yamane, Hiraku Ogino

Research output: Contribution to journalArticlepeer-review


Single crystals of Ca5(Sc0.4Ti0.6)4Fe2As2O11 exhibiting highly anisotropic properties compared to other iron-based superconducting materials were prepared by the self-flux method. Fundamental X-ray diffraction spots from a single crystal were indexed with tetragonal cell parameters of a = 3.8964(1) ¡, c = 41.2890(12) ¡, and weak diffuse streaks were observed along the c* direction at a period of a*/2. The fundamental diffraction data were analyzed using an average crystal structure model (space group I4/mmm). [FeAs] layers and perovskite-type block layers alternate in the crystal structure. Each block layer is composed of four sublayers: a central structure consisting of two individual perovskite-type [Ca8(Sc/Ti)O6] sublayers, and two outer oxygen-deficient [Ca8(Sc/Ti)O5] sublayers. In the [Ca8(Sc/Ti)O6] sublayers, the oxygen positions are split into four with equal probability. The chemical composition was determined to be Ca5(Sc0.4Ti0.6)4(FeAs)2O11, and the Ti content of greater than 0.5 suggests that the superconductivity can be attributed to electron doping.

Original languageEnglish
Pages (from-to)34-37
Number of pages4
JournalJournal of the Ceramic Society of Japan
Issue number1
Publication statusPublished - 2024


  • Ca(ScTi)FeAsO
  • Iron-based superconducting material
  • Single crystal X-ray structure analysis

ASJC Scopus subject areas

  • Ceramics and Composites
  • General Chemistry
  • Condensed Matter Physics
  • Materials Chemistry


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