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Crystal structure of the compound Bi2Zn2/3Nb4/3O7

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Abstract

The crystal structure of Bi2Zn2/3Nb4/3O7 was determined using a combination of electron, x-ray, and neutron powder diffraction. The compound crystallizes with a monoclinic zirconolite-like structure [C2/c (No.15) space group, a = 13.1037(9) Å, b = 7.6735(3) Å, c = 12.1584(6) Å, β = 101.318(5)°]. According to structural refinement using neutron diffraction data, Nb preferentially occupies six-fold coordinated sites in octahedral sheets parallel to the (001) planes, while Zn is statistically distributed between two half-occupied (5 + 1)-fold coordinated sites near the centers of six-membered rings of [Nb(Zn)O6] octahedra. The Nb/Zn cation layers alternate along the c-axis with Bi-layers, in which Bi cations occupy both eight- and seven-fold coordinated sites. The eight-fold coordinated Bi atoms exhibited strongly anisotropic thermal displacements with an abnormally large component directed approximately along the c-axis (normal to the octahedral layers).

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Authors and Affiliations

  1. Materials Science and Engineering Laboratory, National Institute of Standards and Technology, 20899, Gaithersburg, Maryland, USA

    Igor Levin, Tammy G. Amos & Terrell A. Vanderah

  2. Center for Dielectric Studies, Materials Research Laboratory, The Pennsylvania State University, 16802, University Park, Pennsylvania, USA

    Juan C. Nino, Clive A. Randall & Michael T. Lanagan

  3. Engineering Materials, University of Sheffield, S10 2TN, Western Bank, Sheffield, UK

    Ian M. Reaney

Authors
  1. Igor Levin
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  2. Tammy G. Amos
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  3. Juan C. Nino
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  4. Terrell A. Vanderah
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  5. Ian M. Reaney
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  6. Clive A. Randall
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  7. Michael T. Lanagan
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Correspondence to Igor Levin.

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Levin, I., Amos, T.G., Nino, J.C. et al. Crystal structure of the compound Bi2Zn2/3Nb4/3O7. Journal of Materials Research 17, 1406–1411 (2002). https://doi.org/10.1557/JMR.2002.0209

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  • DOI: https://doi.org/10.1557/JMR.2002.0209

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