data_global _amcsd_formula_title 'Bi2 Cu3 O16 Sr5' loop_ _publ_author_name 'Pelloquin D' 'Maignan A' 'Caldes M' 'Hervieu M' 'Michel C' 'Raveau B' _journal_name_full 'Physica C' _journal_volume 212 _journal_year 1993 _journal_page_first 199 _journal_page_last 205 _publ_section_title ; The bismuth oxycarbonate Bi2Sr6-xCu3O10(CO3)2. A new 40K superconductor, second member of the series (Bi2Sr2CuO6)n(Sr2CuO2CO3)n' _cod_database_code 1001571 ; _database_code_amcsd 0015053 _chemical_formula_sum 'Bi2 Sr4.998 Cu3 C2 O16' _cell_length_a 5.469 _cell_length_b 5.483 _cell_length_c 54.26 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1627.069 _exptl_crystal_density_diffrn 5.415 _symmetry_space_group_name_H-M 'F m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' 'x,-y,z' 'x,1/2-y,1/2+z' '1/2+x,-y,1/2+z' '1/2+x,1/2-y,z' '-x,y,-z' '-x,1/2+y,1/2-z' '1/2-x,y,1/2-z' '1/2-x,1/2+y,-z' '-x,y,z' '-x,1/2+y,1/2+z' '1/2-x,y,1/2+z' '1/2-x,1/2+y,z' 'x,-y,-z' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,-z' 'x,y,-z' 'x,1/2+y,1/2-z' '1/2+x,y,1/2-z' '1/2+x,1/2+y,-z' '-x,-y,z' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '1/2-x,1/2-y,z' '-x,-y,-z' '-x,1/2-y,1/2-z' '1/2-x,-y,1/2-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi1 0.00000 0.00000 0.22100 1.00000 Sr1 0.00000 0.00000 0.67100 0.83300 Sr2 0.00000 0.00000 0.60400 0.83300 Sr3 0.00000 0.00000 0.53400 0.83300 Cu1 0.00000 0.00000 0.13700 1.00000 Cu2 0.00000 0.00000 0.00000 1.00000 C1 0.00000 0.00000 0.06900 1.00000 O1 0.00000 0.00000 0.72100 1.00000 O2 0.00000 0.00000 0.17100 1.00000 O3 0.00000 0.00000 0.10400 1.00000 O4 0.00000 0.00000 0.03400 1.00000 O5 0.25000 0.25000 0.13700 1.00000 O6 0.25000 0.25000 0.00000 1.00000 O7 0.17000 0.17000 0.06900 0.25000