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

  • X. S. Wu (a1), F. Z. Wang (a1) and S. S. Jiang (a1)


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.



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

  • X. S. Wu (a1), F. Z. Wang (a1) and S. S. Jiang (a1)


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