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Abstract
Black crystals, displaying a micaccous habit, result from heating the 90 K superconducting phase YBa2Cu3O7−x above 1050°C. The crystals are tetragonal, P4/mmm, a = 3.863 (2) Å, c = 11.830 (4) Å, Z = 1, ρcal = 6.115 g/cm3. The 184 independent single-crystal reflections were used to refine the structure by least squares to R = 0.0374, wR = 0.0347. The structure contains Cu+ in twofold coordination and corrugated layers of Cu2+–O. The Ba2+ is in eightfold coordination between the Cu+ and Cu2+ layers and Y is in eightfold coordination between the Cu2+ layers.
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