Neutron powder diffraction study on the crystal and magnetic structures of BiCoO3

Alexei A. Belik, Satoshi Iikubo, Katsuaki Kodama, Naoki Igawa, Shin Ichi Shamoto, Seiji Niitaka, Masaki Azuma, Yuichi Shimakawa, Mikio Takano, Fujio Izumi, Eiji Takayama-Muromachi

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The crystal and magnetic structures of polycrystalline BiCoO3 have been determined by the Rietveld method from neutron diffraction data measured at temperatures from 5 to 520 K. BiCoO3 (space group P4mm; Z = 1; a = 3.72937(7) A and c = 4.72382(15) A at room temperature; tetragonality c/a = 1.267) is isotypic with BaTiO3 and PbTiO 3 in the whole temperature range. BiCoO3 is an insulator with a Néel temperature of 470 K. A possible model for antiferromagnetic order is proposed with a propagation vector of k = (1/2, 1/2, 0). In this model, magnetic moments of Co3+ ions are parallel to the c direction and align antiferromagnetically in the ab plane. The antiferromagnetic ab layers stack ferromagnetically along the c axis, forming a C-type antiferromagnetic structure. Refined magnetic moments at 5 and 300 K are 3.24(2)μB and 2.93(2)μB, respectively. The structure refinements revealed no deviation from stoichiometry in BiCoO3. BiCoO3 decomposed in air above 720 K to give 00304 and sillenite-like Bi 25-CoO39.

Original languageEnglish
Pages (from-to)798-803
Number of pages6
JournalChemistry of Materials
Issue number3
Publication statusPublished - Feb 7 2006
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry


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