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Structure determination and Rietveld refinement of Y0.8Ca0.2Ba1.8La0.2Cu3Oy

Published online by Cambridge University Press:  05 March 2012

X. S. Wu ,
F. Z. Wang  and
S. S. Jiang
X. S. Wu
Affiliation:
National Laboratory of Solid State Microstructures, Department of Physics, Institute of Solid State Physics, and Center for Advanced Studies in Science and Technology of Microstructures, Nanjing University, Nanjing 210093, People’s Republic of China
F. Z. Wang
Affiliation:
National Laboratory of Solid State Microstructures, Department of Physics, Institute of Solid State Physics, and Center for Advanced Studies in Science and Technology of Microstructures, Nanjing University, Nanjing 210093, People’s Republic of China
S. S. Jiang
Affiliation:
National Laboratory of Solid State Microstructures, Department of Physics, Institute of Solid State Physics, and Center for Advanced Studies in Science and Technology of Microstructures, Nanjing University, Nanjing 210093, People’s Republic of China
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Abstract

The structure of the new Y0.8Ca0.2Ba1.8La0.2Cu3Oy (YBLCO) compound was obtained at 298 K from X-ray powder diffraction data and refined by the Rietveld technique. YBLCO has a structure isotypical with YBa2Cu3Oy (YBCO) at room temperature. The crystal data are: Y0.81Ca0.19Ba1.8La0.2Cu3O7.08, Mw=657.69, orthorhombic system, space group Pmmm, a=3.8731(1) Å, b=3.8249(1) Å, c=11.6602(3) Å, V=172.740(13) Å3, Z=1, dx=6.325 g/cm3; the structure was refined with 37 parameters to Rwp=7.66%, Rp=5.86%, and Rexp=5.11% for 2001 data points. Moreover, the proportions of Ca and La were refined to be 0.19 and 0.2, in agreement with the stoichiometric proportion of 0.2.

Keywords

structure determinationRietveld analysispowder diffractionhigh Tc material Y0.8Ca0.2Ba1.8La0.2Cu3Oy
Type
Technical Articles
Information
Powder Diffraction , Volume 16 , Issue 4 , December 2001 , pp. 212 - 215
Copyright
Copyright © Cambridge University Press 2001

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