Abstract
Superconducting orthorhombic YBa 2Cu 3O 6.8 has been reduced to tetragonal YBa 2Cu 3O 6 without structural collapse by heating under a nitrogen atmosphere at 900°C. Further reduction above ∼950°C results in destruction of the perovskite-related structure. Neutron powder diffraction data were fitted by the Rietveld profile refinement method to obtain the structure of YBa 2Cu 3O 6. The reduced material is viewed as containing isolated linear Cu 1+O 2 units and square pyramidal Cu 2+O 5 units that share oxygen atoms to form a two-dimensional copper-oxygen network. Semiconducting behavior is observed for YBa 2Cu 3O 6 from 4.2 K to 300 K consistent with such a localized-electron model. The structural refinement of YBa 2Cu 3O 6 shows that the linear (Cu − 0) n chains present in YBa 2Cu 3O 7 are now completely absent.
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