data_global _amcsd_formula_title 'Ba Cu O5 Y2' loop_ _publ_author_name 'Mechel C' 'Raveau B' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 43 _journal_year 1982 _journal_page_first 73 _journal_page_last 80 _publ_section_title ; Les oxydes A2 Ba Cu O5 (A = Y,Sm,Eu,Gd,Dy,Ho,Er,Yb) _cod_database_code 1001221 ; _database_code_amcsd 0013475 _chemical_formula_sum 'Y2 Ba Cu O5' _cell_length_a 7.132 _cell_length_b 12.181 _cell_length_c 5.658 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 491.538 _exptl_crystal_density_diffrn 6.198 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Y1 0.12100 0.28910 0.25000 Y2 0.39580 0.07490 0.25000 Ba1 0.92930 0.90550 0.25000 Cu1 0.71800 0.65600 0.25000 O1 0.15900 0.44400 -0.01400 O2 0.37200 0.23400 0.46700 O3 0.08200 0.09000 0.25000