data_global _amcsd_formula_title 'Bi3 Cl2 Na O4' loop_ _publ_author_name 'Sillen L' _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_volume 242 _journal_year 1939 _journal_page_first 41 _journal_page_last 46 _publ_section_title ; Roentgenuntersuchung von Li Bi3 O4 Cl2 und verwandten Stoffen _cod_database_code 1010161 ; _database_code_amcsd 0017097 _chemical_formula_sum '(Na.5 Bi1.5) O2 Cl' _cell_length_a 3.877 _cell_length_b 3.877 _cell_length_c 12.13 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 182.328 _exptl_crystal_density_diffrn 7.148 _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 Na1 0.00000 0.00000 0.15700 0.25000 Bi1 0.00000 0.00000 0.15700 0.75000 O1 0.00000 0.50000 0.25000 1.00000 Cl1 0.00000 0.00000 0.50000 1.00000