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Crystal structure of La1.85Ba0.15CaCu2O6+y determined by neutron powder diffraction

AuthorsNavarro, J. M.; Fuertes, Amparo ; Gómez-Romero, P. ; Rodríguez-Carvajal, Juan
Issue Date1992
CitationSolid State Communications 81(8): 677-681 (1992)
AbstractThe nuclear structure of the superconducting oxide La1.85Ba0.15CaCu2O6+y(Tc(onset) = 47 K) is reported from neutron powder diffraction data collected at 1.5 K and at room temperature. Space group I4/mmm, a = 3.833 04(6), c = 19.5327(5) A ̊. The profile analysis leads to the location of non-stoichiometric oxygen (y = 0.04(1)) partially occupying a bridging site between CuO2 layers (0, 0, 1 2). Four equatorial positions and one axial position of Cu are fully occupied by oxygen. The distribution of La, Ba and Ca in the lattice is also discussed. The results are consistent with Ba occupying the 4e site, i.e. the nine-coordinated one and with site 2a being occupied by Ca(La) 76 : 24. The compound has tetragonal symmetry characteristic of square CuO2 planes at room temperature and at 2 K.
Identifiersdoi: 10.1016/0038-1098(92)90619-K
issn: 0038-1098
e-issn: 1879-2766
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