Structure refinements of superconducting and nonsuperconducting<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">La</mml:mi></mml:mrow><mml:mrow><mml:mn>1.82</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Ca</mml:mi></mml:mrow><mml:mrow><mml:mn>1.18</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cu</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn><mml:mo>±</mml:mo><mml:mi mathvariant="normal">δ</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>from neutron-diffraction data
Abstract
The crystal structures of superconducting and nonsuperconducting ${\mathrm{La}}_{1.82}$${\mathrm{Ca}}_{1.18}$${\mathrm{Cu}}_{2}$${\mathrm{O}}_{6\ifmmode\pm\else\textpm\fi{}\mathrm{\ensuremath{\delta}}}$ synthesized under ${\mathrm{O}}_{2}$ 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 ${\mathrm{CuO}}_{2}$ 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.
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