data_global _amcsd_formula_title 'Ba Cu O5.05 Sr' loop_ _publ_author_name 'Chaillout C' 'Huang Q' 'Cava R' 'Chenavas J' 'Santoro A' 'Bordet P' 'Hodeau J' 'Krajewski J' 'Levy J' 'Marezio M' 'Peck W' _journal_name_full 'Physica C' _journal_volume 195 _journal_year 1992 _journal_page_first 335 _journal_page_last 344 _publ_section_title ; Synthesis and crystal structure of BaSrCuO2+xCO3 _cod_database_code 1008567 ; _database_code_amcsd 0016458 _chemical_formula_sum 'Ba Sr Cu C O5.05' _cell_length_a 5.5899 _cell_length_b 5.5899 _cell_length_c 7.7153 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 241.080 _exptl_crystal_density_diffrn 5.253 _symmetry_space_group_name_H-M 'P 4/m b m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' '1/2+y,1/2+x,-z' 'y,-x,-z' '-y,x,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' 'x,y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '1/2-y,1/2-x,-z' '-y,x,-z' 'y,-x,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 _atom_site_occupancy Ba1 0.00000 0.00000 0.21150 0.50000 Sr1 0.00000 0.00000 0.24230 0.50000 Cu1 0.50000 0.00000 0.00000 1.00000 C1 0.50000 0.00000 0.50000 1.00000 O1 0.34340 0.84340 0.45530 0.26250 O2 0.25090 0.75090 0.01870 0.50000 O3 0.46720 0.96720 0.32860 0.25000 O4 0.41400 0.91400 0.37710 0.25000