Crystal structure of Ca<sub>5</sub>(Sc<sub>0.4</sub>Ti<sub>0.6</sub>)<sub>4</sub>Fe<sub>2</sub>As<sub>2</sub>O<sub>11</sub>

  • Simura Rayko
    Institute of Multidisciplinary Research for Advanced Materials, Tohoku University
  • Yatsu Yudai
    Graduate School of Engineering and Science, Shibaura Institute of Technology National Institute of Advanced Industrial Science and Technology
  • Sakai Naomichi
    Graduate School of Engineering and Science, Shibaura Institute of Technology
  • Yamane Hisanori
    Institute of Multidisciplinary Research for Advanced Materials, Tohoku University
  • Ogino Hiraku
    National Institute of Advanced Industrial Science and Technology

抄録

<p>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) Å, c = 41.2890(12) Å, 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.</p>

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