data_global _amcsd_formula_title 'YBaCuFeO5' loop_ _publ_author_name 'Er Rakho L' 'Michel C' 'Lacorre P' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 73 _journal_year 1988 _journal_page_first 531 _journal_page_last 535 _publ_section_title ; YBaCuFeO5+d: A Novel Oxygen-Deficient Perovskite with a Layer Structure _cod_database_code 1000233 ; _database_code_amcsd 0013616 _chemical_formula_sum 'Ba Y (Cu Fe) O5' _cell_length_a 3.867 _cell_length_b 3.867 _cell_length_c 7.656 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 114.485 _exptl_crystal_density_diffrn 6.173 _symmetry_space_group_name_H-M 'P 4 m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' '-y,x,z' 'x,-y,z' '-x,-y,z' 'y,x,z' 'y,-x,z' '-x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 0.00000 0.00000 0.02260 1.00000 Y1 0.00000 0.00000 0.51120 1.00000 Cu1 0.50000 0.50000 0.27380 0.62000 Fe1 0.50000 0.50000 0.27380 0.38000 Cu2 0.50000 0.50000 0.73870 0.38000 Fe2 0.50000 0.50000 0.73870 0.62000 O1 0.50000 0.50000 0.01490 1.00000 O2 0.50000 0.00000 0.33310 1.00000 O3 0.50000 0.00000 0.70280 1.00000