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Crystallographic studies of BaR2ZnO5 (R=La, Nd, Dy, Ho, Er, and Y)

Published online by Cambridge University Press:  10 January 2013

Winnie Wong-Ng ,
Brian Toby  and
William Greenwood
Winnie Wong-Ng
Affiliation:
Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
Brian Toby
Affiliation:
Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
William Greenwood
Affiliation:
Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899
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Abstract

The crystal structures of BaR2ZnO5, where R=La, Nd, Dy, Ho, and Y, were studied by neutron diffraction, and that of the Er analog was investigated by synchrotron X-ray diffraction. Two structure types were confirmed for this series of compounds and agreed with those reported in literature. The compounds with a smaller size of R (R=Dy, Ho, Y, and Er) are isostructural to the orthorhombic “green phase (BaY2CuO5)” compounds. The cell parameters for compounds with the R=Er to Dy range from a=7.0472(1) Å to 7.0944(1) Å, b=12.3022(1) Å to 12.3885(2) Å, and c=5.6958(1) Å to 5.7314(1) Å, respectively. R is 7-fold coordinated inside a monocapped trigonal prism. These prisms share edges to form wavelike chains parallel to the long b-axis. The Ba atoms reside in 11-fold coordinated cages. The compounds which contain a larger size R (R=La and Nd) crystallize in the tetragonal I4/mcm space group, but are not isostructural to the “brown phases” BaR2CuO5. The lattice parameters for the La and Nd analogs are a=6.9118(1) Å, c=11.6002(2) Å for BaLa2ZnO5, and a=6.7608(1) Å and c=11.5442(2) Å for BaLa2ZnO5. The structure consists of ZnO4 tetrahedral groups (instead of planar CuO4 groups as found in the brown phase) with Ba ions inserted in between. The structure can be viewed as consisting of alternate layers of Zn-Ba-O and Nd-O extending infinitely in the xy plane and perpendicular to the z-axis.

Type
Research Article
Information
Powder Diffraction , Volume 13 , Issue 3 , September 1998 , pp. 144 - 151
Copyright
Copyright © Cambridge University Press 1998

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