Hydrothermal Synthesis of Pyrochlore-Type Pentavalent Bismuthates Ca<sub>2</sub>Bi<sub>2</sub>O<sub>7</sub> and Sr<sub>2</sub>Bi<sub>2</sub>O<sub>7</sub>

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  • Md Saiduzzaman
    Center for Crystal Science and Technology, University of Yamanashi, 7-32 Miyamae-cho, Kofu 400-8511, Japan
  • Takahiro Takei
    Center for Crystal Science and Technology, University of Yamanashi, 7-32 Miyamae-cho, Kofu 400-8511, Japan
  • Sayaka Yanagida
    Center for Crystal Science and Technology, University of Yamanashi, 7-32 Miyamae-cho, Kofu 400-8511, Japan
  • Nobuhiro Kumada
    Center for Crystal Science and Technology, University of Yamanashi, 7-32 Miyamae-cho, Kofu 400-8511, Japan
  • Hena Das
    Laboratory for Materials and Structures, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan
  • Hirokazu Kyokane
    Laboratory for Materials and Structures, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan
  • Shogo Wakazaki
    Laboratory for Materials and Structures, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan
  • Masaki Azuma
    Laboratory for Materials and Structures, Tokyo Institute of Technology, 4259 Nagatsuta, Midori, Yokohama 226-8503, Japan
  • Chikako Moriyoshi
    Department of Physical Science, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8526, Japan
  • Yoshihiro Kuroiwa
    Department of Physical Science, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima, Hiroshima 739-8526, Japan

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説明

The pyrochlore-type Ca2Bi2O7 and Sr2Bi2O7 have been synthesized from a low-temperature hydrothermal route using NaBiO3·nH2O as a starting material. The crystal structures of these compounds were refined using synchrotron powder X-ray diffraction data. The cell parameters were found to be a = 10.75021 (5) A and 10.94132 (6) A for Ca2Bi2O7 and Sr2Bi2O7, respectively. Density functional theory calculations showed the metallic band structure, but the negligible mixing of O2 2p bands with the A-site alkaline-earth-metal states and weak overlap with the conduction bands result in the semiconducting behavior.

収録刊行物

  • Inorganic Chemistry

    Inorganic Chemistry 58 (3), 1759-1763, 2019-01-17

    American Chemical Society (ACS)

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