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

Abstract

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.