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X-ray reference patterns and structure of the perovskite-related phase R2Cu9Ti12O36 (R=lanthanides)

Published online by Cambridge University Press:  01 March 2012

W. Wong-Ng,
J. Suh and
J. A. Kaduk
W. Wong-Ng*
Affiliation:
Ceramics Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
J. Suh
Affiliation:
Ceramics Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
J. A. Kaduk
Affiliation:
BP Chemicals, Naperville, Illinois 60566
*
a)Electronic mail: winnie.wong-ng@nist.gov
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Abstract

The X-ray Rietveld refinement technique was used to determine the structure and prepare X-ray powder reference patterns for the phases R2Cu9Ti12O36 (R=Nd, Sm, Eu, Gd, Dy, Ho, Y, Er, Tm, Yb, and Lu). R2Cu9Ti12O36 belongs to the perovskite-related [AC3](B4)O12 family of structures, which are cubic with space group Im3. The lattice parameters of the R2Cu9Ti12O36 series range from a=7.377 57(2) Å, V=401.550(3) Å3 for R=Lu to a=7.399 87(3) Å, and V=405.202(4) Å3 for R=Nd. The trend of these lattice parameters parallels the “lanthanide contraction.” In the structure, R occupies the larger icosahedral A site of the ideal ABO3 perovskite structure, while Ti occupies the distorted octahedral B site. The Jahn-Teller cation Cu occupies the C site. The twelve oxygens surrounding Cu are arranged as three mutually perpendicular rectangles of different size. The smallest and largest rectangles are nearly squares. One-third of the R site is vacant, and the chemical formula can be written as [R2∕3X1∕3Cu3](Ti4)O12, where X=vacancy. The X-ray powder patterns of R2Cu2Ti12O36 have been submitted to ICDD for inclusion in the Powder Diffraction File (PDF).

Keywords

R2Cu9Ti12O36 (R=lanthanides)perovskite-related [AC3](B4)O12 familyX-ray reference powder patternscrystal structureRietveld refinement

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Type
Technical Articles
Information
Powder Diffraction , Volume 20 , Issue 3 , September 2005, pp. 193 - 197
Copyright
Copyright © Cambridge University Press 2005

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