data_global _amcsd_formula_title 'Ba2.5 Bi1.59 Cu2 La0.91 O8.25' loop_ _publ_author_name 'Hervieu M' 'Pham A' 'Michel C' 'Raveau B' _journal_name_full 'Physica C' _journal_volume 209 _journal_year 1993 _journal_page_first 449 _journal_page_last 455 _publ_section_title ; A 2212 bismuth cuprate with a non-modulated structure Bi2-xLaxBa2.5La0.5Cu2O8.25 _cod_database_code 1001585 ; _database_code_amcsd 0015046 _chemical_formula_sum 'Bi1.59 La.91 Ba2.5 Cu2 O8' _cell_length_a 3.938 _cell_length_b 3.938 _cell_length_c 31.213 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 484.046 _exptl_crystal_density_diffrn 7.253 _symmetry_space_group_name_H-M 'I 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,x,-z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi1 0.50000 0.50000 0.20570 0.79500 La1 0.50000 0.50000 0.20570 0.20500 Ba1 0.00000 0.00000 0.11840 1.00000 Ba2 0.00000 0.00000 0.00000 0.50000 La2 0.00000 0.00000 0.00000 0.50000 Cu1 0.50000 0.50000 0.05990 1.00000 O1 0.50000 0.00000 0.05300 1.00000 O2 0.50000 0.50000 0.69700 1.00000 O3 0.50000 0.50000 0.13600 1.00000