data_global _chemical_name_mineral 'Bismoclite' loop_ _publ_author_name 'Keramidas K G' 'Voutsas G P' 'Rentzeperis P I' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 205 _journal_year 1993 _journal_page_first 35 _journal_page_last 40 _publ_section_title ; The crystal structure of BiOCl ; _database_code_amcsd 0011038 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Bi O Cl' _cell_length_a 3.887 _cell_length_b 3.887 _cell_length_c 7.354 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 111.110 _exptl_crystal_density_diffrn 7.784 _symmetry_space_group_name_H-M 'P 4/n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' '1/2+y,1/2+x,-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,z' '-y,-x,-z' '-y,1/2+x,-z' 'y,1/2-x,z' '1/2-x,y,z' '1/2+x,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Bi 0.25000 0.25000 0.17140 0.01260 O 0.25000 0.75000 0.00000 0.03121 Cl 0.25000 0.25000 0.64590 0.01945