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Crystal Structure of the Compound Bi2Zn2/3Nb4/3O7

Published online by Cambridge University Press:  31 January 2011

Igor Levin ,
Tammy G. Amos ,
Juan C. Nino ,
Terrell A. Vanderah ,
Ian M. Reaney ,
Clive A. Randall  and
Michael T. Lanagan
Igor Levin*
Affiliation:
Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
Tammy G. Amos
Affiliation:
Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
Juan C. Nino
Affiliation:
Center for Dielectric Studies, Materials Research Laboratory, The Pennsylvania State University, University Park, Pennsylvania 16802
Terrell A. Vanderah
Affiliation:
Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
Ian M. Reaney
Affiliation:
Engineering Materials, University of Sheffield, Western Bank, Sheffield S10 2TN, United Kingdom
Clive A. Randall
Affiliation:
Center for Dielectric Studies, Materials Research Laboratory, The Pennsylvania State University, University Park, Pennsylvania 16802
Michael T. Lanagan
Affiliation:
Center for Dielectric Studies, Materials Research Laboratory, The Pennsylvania State University, University Park, Pennsylvania 16802
*
a)Address all correspondence to this author. e-mail: igor.levin@nist.gov
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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).

Type
Articles
Information
Journal of Materials Research , Volume 17 , Issue 6 , June 2002 , pp. 1406 - 1411
Copyright
Copyright © Materials Research Society 2002

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