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A Combined Rietveld Refinement on the Crystal Structure of a Magnetoelectric Aurivillius Phase $Bi_5Ti_3FeO_{15}$ Using Neutron and X-ray Powder Diffractions
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  • A Combined Rietveld Refinement on the Crystal Structure of a Magnetoelectric Aurivillius Phase $Bi_5Ti_3FeO_{15}$ Using Neutron and X-ray Powder Diffractions
  • A Combined Rietveld Refinement on the Crystal Structure of a Magnetoelectric Aurivillius Phase $Bi_5Ti_3FeO_{15}$ Using Neutron and X-ray Powder Diffractions
저자명
Ko. Tae-Gyung,Jun. Chang-Ho,Lee. Jeong-Soo
간행물명
The Korean journal of ceramics
권/호정보
1999년|5권 4호|pp.341-347 (7 pages)
발행정보
한국세라믹학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

An ambiguity on the correct room temperature structure of $Bi_5Ti_3FeO_{15}$ was resolved using a combined Rietveld refinement of neutron and X-ray diffraction. The structure of this compound has been reported to have a space group of F2mm (adopting 2-fold rotation symmetry along the c-axis) or A21am. However, our diffraction, study reveals that some reflections would violate F-centering and confirm that the belong to $A2_1$am. Out refinement with the space group of $A2_1$am converged at $R_p=6.85%, R_wp=9.23%$ and $chi^2$=1.66 for an isotropic temperature model with 85 variables. The lattice constants are a=5.4677(1) $AA$, b=5.4396(1) $AA$, and c=41.2475(8)$AA$. In structure, Ti/Fe atoms at the oxygen octahedral sites of the perovskite unit are completely disordered, resulting in that these atoms are transparent in neutron diffraction. The octahedra of the perovskite unit are relatively displaced along the a-axis against the Bi atoms, which contribute as a major component to the spontaneous polarization of $Bi_5Ti_3FeO_{15}$.