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Crystal structure of Cu doped La0.67Ca0.33MnO3 by Rietveld refinement

  • H. L. Cai (a1), X. S. Wu (a1), F. Z. Wang (a1), A. Hu (a1), S. S. Jiang (a1), J. F. Feng (a2), B. Qian (a2), J. H. Xing (a2), C. J. Chen (a3), X. Chen (a3), M. H. Sun (a3) and Z. H. Wu (a3)...


The crystal structure of La0.67Ca0.33Mn0.80Cu0.20O3 (LCMCO) compound was determined from laboratory X-ray powder diffraction data and refined by the Rietveld method. LCMCO is isostructural with La0.67Ca0.33MnO3 (LCMO). The crystal data are: La0.64Ca0.36Mn0.82Cu0.18O3.01, Mr=843.80, orthorhombic system, space group Pnma, a=5.4364(1) Å, b=7.6725(2) Å, c=5.4452(1) Å, V=227.124(8)Å3, Z=4, Dx=6.168 g∕cm3. In comparing with the Cu-free compound, subtle structural changes such as bond lengths and bond angles found in the Cu-doped compound may be responsible for the larger effects on the transport and magnetic properties when Cu partially substitutes for Mn in CMCO.


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