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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.

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

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