data_global _amcsd_formula_title 'Cl6 H4 K3 O2 Tl' loop_ _publ_author_name 'Hoard J' 'Goldstein L' _journal_name_full 'Journal of Chemical Physics' _journal_volume 3 _journal_year 1935 _journal_page_first 645 _journal_page_last 649 _publ_section_title ; The Structure of Potassium Hexachlorothalliate Dihydrate _cod_database_code 1010517 ; _database_code_amcsd 0017428 _chemical_formula_sum 'Tl7 Cl42 K21 O14' _cell_length_a 15.841 _cell_length_b 15.841 _cell_length_c 18.005 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4518.125 _exptl_crystal_density_diffrn 2.914 _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 Tl1 0.00000 0.00000 0.00000 Tl2 0.00000 0.50000 0.00000 Tl3 0.25000 0.25000 0.25000 Cl1 0.00000 0.00000 0.14200 Cl2 0.16100 0.00000 0.00000 Cl3 0.00000 0.50000 0.14200 Cl4 0.38600 0.11400 0.00000 Cl5 0.18100 -0.18100 0.36200 Cl6 0.16000 -0.16000 0.16300 Cl7 0.36400 0.86400 0.25000 K1 0.00000 0.00000 0.50000 K2 0.21400 0.21400 0.00000 K3 0.00000 0.29500 0.13200 K4 0.00000 0.29300 0.37600 O1 0.00000 0.00000 0.34700 O2 0.17300 0.00000 0.50000 O3 0.00000 0.15700 0.27600