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Crystallographic studies and X-ray diffraction patterns of Ba5R8Zn4O21 by Rietveld refinements

Published online by Cambridge University Press:  05 March 2012

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

The structure of the Ba5R8Zn4O21 series (R=lanthanides) was investigated using X-ray Rietveld refinements. The compounds were successfully prepared for R=Eu, Gd, Dy, Ho, Er, Tm, and Yb. Ba5R8Zn4O21 crystallizes in the tetragonal space group I4/m; for R=Yb to Eu, a ranges from 13.635 02(5) to 13.960 62(9) Å, c from 5.658 46(3) to 5.784 83(5) Å, and V from 1051.987(8) to 1127.459(14) Å3. The Zn2+ ions adopt a fivefold distorted square pyramidal coordination. The seven-coordinate R3+ reside in monocapped trigonal prisms. These prisms share edges, and form layers stacked along the c axis. There are two types of BaO polyhedra: bicapped square prisms (BaO10), and irregular BaO10 polyhedra. For larger R, Ba5R8Zn4O21 was not stable, and tetragonal BaR2ZnO5(La, Nd) and orthorhombic BaR2ZnO5(Sm) phases were observed instead.

Type
Lead Article
Information
Powder Diffraction , Volume 16 , Issue 3 , September 2001 , pp. 131 - 143
Copyright
Copyright © Cambridge University Press 2001

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