data_global _amcsd_formula_title 'B3 Cl2 Li O4' loop_ _publ_author_name 'Sillen L' _journal_name_full 'Naturwissenschaften' _journal_volume 26 _journal_year 1938 _journal_page_first 612 _journal_page_last 613 _publ_section_title ; Ein neuer Typus von gemischtem Halogen - Sauerstoffgitter _cod_database_code 1010408 ; _database_code_amcsd 0017333 _chemical_formula_sum '(Li.5 B1.5) O2 Cl' _cell_length_a 3.84 _cell_length_b 3.84 _cell_length_c 12.03 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 177.390 _exptl_crystal_density_diffrn 1.631 _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 Li1 0.00000 0.00000 0.17000 0.25000 B1 0.00000 0.00000 0.17000 0.75000 O1 0.00000 0.50000 0.25000 1.00000 Cl1 0.00000 0.00000 0.50000 1.00000