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The crystal structures of superconducting and nonsuperconducting La 1.82 Ca 1.18 Cu 2 O 6 ± δ synthesized under O 2 pressures of 400 and 2 atm were refined by Rietveld analysis of neutron-powder-diffraction data. These samples contained no impurities and their observed and calculated diffraction patterns were in excellent agreement. In both samples, Ca and La preferentially occupied, respectively, a 2a site in eightfold coordination and a 4e site in ninefold coordination; a slightly higher ordering was observed in the superconducting compound. An apical oxygen site was almost fully occupied. A trace of excess oxygen between two CuO 2 planes was detected in the superconducting compound. Cu-O(1) and Cu-O(2) bond lengths differed a little between the two samples. Increases in cation ordering and in interstitial oxygen might be important factors determining superconductivity in this system.
Physical Review B – American Physical Society (APS)
Published: Mar 1, 1992
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