Structure of Ba2 YCu3O6.26 at 20 and 298K by single-crystal neutron diffration

Abstract
The crystal structure of Ba2YCu3O8-δ (δ=1.74) at 20K and 298K has been determined by single-crystal neutron diffraction. In contrast to the superconducting orthorhombic phase for which 6 ~ 1.1, this phase crystallizes in the tetragonal space group P4/MMM wtih α = 3.8573(4)Å and c = 11.7913(10)Å. The increase in oxygen vacancies compared to Ba2YCu3O8-δ (6 ∼1.1.) is confined entirely to the sites in the plane midway between pairs of closest barium atoms. No significant differences were observed between the structures at 20K and 298K