TY - JOUR TI - Main- and superstructure by X-ray scattering for annealed single crystal of YBa2Cu3O6.5 AU - Grybos, J. AU - Wabia, M. AU - Kubanek, F. AU - Guskos, N. JO - Physica C: Superconductivity and its Applications PY - 1999 VL - 320 TODO - 1 SP - 51-64 PB - Elsevier Science Publishers B.V., Amsterdam SN - 0921-4534 TODO - 10.1016/S0921-4534(99)00278-6 TODO - Annealing; Atoms; Copper; Crystal atomic structure; Mathematical models; Oxygen; Phase separation; Reflection; Single crystals; Superconducting transition temperature; X ray diffraction analysis; X ray scattering, Apex oxygen; Copper superconducting plane; Diffuse scattering; Superstructure reflections, Yttrium barium copper oxides TODO - A single crystal of YBa2Cu3O6.5 was annealed at 430, 510, 570 and 590 K in the furnace of a four-circle X-ray diffractometer, cooled down slowly to room temperature and investigated structurally. From the dataset of about 200 reflections with 40 superstructure reflections, the main- and superstructure models have been derived. Displacements of Cu atoms, changes of oxygen populations in the basal plane and the small displacements of Y, Ba and apex-oxygens were observed. The changes of atom positions have been correlated with the superconducting transition temperature Tc. With increasing annealing temperature, the phase separation, a characteristic diffuse scattering in the 00l-direction, changes of oxygen population in the basal plane and after annealing at 430 K, the disappearance of twinned reflections in the a*-b* plane have been seen. ER -