Abstract
Single crystal- and powder X-ray diffraction, powder neutron diffraction at room temperature and 3 K, high resolution electron microscopy and electron diffraction were used to study the crystal- and defect-structure of YBa2(Cu0.93Fe0.05)3O7. Crystals of this compound are superconducting (T c ≈80 K) and appeart to be tetragonal down to at least 3 K. The structure resembles that of the undoped YBa2Cu3O7 phase with the oxygen content being very close to 7.0 and the Fe atoms preferentially occupying the Cu(1) site. A copper deficiency is shown to be present on this site too, leading to the approximate formula YBa2(Cu0.97Fe0.03)2(Cu0.86Fe0.1□0.04)O7. High resolution electron microscopy reveals the existence of orthorhombic micro-domains, 20–30 Å in diameter, probably due to short range ordering of oxygen atoms on the O(1) site. In view of these results the structure has to be regarded as being tetragonal only in a statistical sense.
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Roth, G., Heger, G., Renker, B. et al. Crystallographic study of tetragonal, superconducting YBa2(Cu0.93Fe0.05)3O7 . Z. Physik B - Condensed Matter 71, 43–52 (1988). https://doi.org/10.1007/BF01310842
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DOI: https://doi.org/10.1007/BF01310842