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Structure refinements of superconducting and nonsuperconducting La1.82Ca1.18Cu2O6±δ from neutron-diffraction data

K. Kinoshita, F. Izumi, T. Yamada, H. Asano

DOI 10.1103/PhysRevB.45.5558 · Physical Review B

T1

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Abstract

The crystal structures of superconducting and nonsuperconducting La1.82Ca1.18Cu2O6±δ synthesized under O2 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 CuO2 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.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
La1.82Ca1.18Cu2O6+δ

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60Pressure not reportedonset
La1.82Ca1.18Cu2O6+δ

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

49Pressure not reportedzero_resistance
La1.82Ca1.18Cu2O6+δ

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

60Pressure not reportedonset
La1.6Sr0.4CaCu2O5.94

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

—Pressure not reportedunknown
La1.8Sr0.2CaCu2O6

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—Pressure not reportedunknown
La2CaCu2O6.04

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Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.

—Pressure not reportedunknown

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