data_global _amcsd_formula_title 'Cl6 H2 In K3 O' loop_ _publ_author_name 'Wignacourt J' 'Nowogrocki G' 'Mairesse G' 'Barbier P' _journal_name_full 'Reviews in Inorganic Chemistry' _journal_volume 2 _journal_year 1980 _journal_page_first 207 _journal_page_last 217 _publ_section_title ; Evidence for ionic isomerism in complex salts. X-ray evidence in K3InCl6.H2O _cod_database_code 1004098 ; _database_code_amcsd 0015366 _chemical_formula_sum 'In7 Cl42 K21 O7' _cell_length_a 15.723 _cell_length_b 15.723 _cell_length_c 18.069 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4466.887 _exptl_crystal_density_diffrn 2.398 _symmetry_space_group_name_H-M 'I 4 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' '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' '-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 In1 0.24357 0.24357 0.00499 1.00000 Cl1 0.35645 0.13208 0.00599 1.00000 Cl2 0.15060 0.15060 0.08966 1.00000 Cl3 0.30706 0.30706 0.12025 1.00000 Cl4 0.33417 0.33417 0.92095 1.00000 Cl5 0.18005 0.18005 0.89051 1.00000 In2 0.00000 0.50000 0.25700 1.00000 Cl6 0.00000 0.50000 0.12268 1.00000 Cl7 0.00000 0.50000 0.39196 1.00000 Cl8 0.11404 0.61551 0.25732 1.00000 In3 0.00000 0.00000 0.27378 1.00000 Cl9 0.00000 0.00000 0.40793 1.00000 Cl10 0.00000 0.15988 0.26060 1.00000 K1 0.21001 0.21001 0.25590 1.00000 K2 0.00000 0.29263 0.12452 1.00000 K3 0.00000 0.29532 0.39536 1.00000 K4 0.50000 0.21428 0.13151 1.00000 K5 0.50000 0.21935 0.37735 1.00000 K6 0.50000 0.50000 0.11877 0.50000 K7 0.50000 0.50000 0.37568 0.50000 Cl11 0.50000 0.37184 0.25010 0.25000 O1 0.00000 0.00000 0.14770 1.00000 O2 0.50000 0.33780 0.02810 0.50000 O3 0.50000 0.33460 0.25050 0.50000 O4 0.50000 0.33620 0.47190 0.50000