data_global _amcsd_formula_title 'I5 Sb Se2 Sn3' loop_ _publ_author_name 'Ibanez A' 'Jumas J' 'Olivier-Fourcade J' 'Philippot E' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 55 _journal_year 1984 _journal_page_first 83 _journal_page_last 91 _publ_section_title ; Mise en evidence d'un desordre statistique dans les structures chalcogenoiodures d'etain et d'antimoine. _cod_database_code 1008279 ; _database_code_amcsd 0016201 _chemical_formula_sum 'I5 Se2 Sn3 Sb' _cell_length_a 14.166 _cell_length_b 4.342 _cell_length_c 12.149 _cell_angle_alpha 90 _cell_angle_beta 96.03 _cell_angle_gamma 90 _cell_volume 743.135 _exptl_crystal_density_diffrn 5.677 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy I1 0.03990 0.00000 0.33090 1.00000 I2 0.30430 0.00000 0.13350 1.00000 I3 0.00000 0.00000 0.00000 1.00000 Se1 0.23530 0.00000 0.62060 1.00000 Sn1 0.36730 0.00000 0.48110 1.00000 Sn2 0.34800 0.00000 0.83550 0.25000 Sb1 0.34800 0.00000 0.83550 0.25000 Sn3 0.35420 0.00000 0.88930 0.25000 Sb2 0.35420 0.00000 0.88930 0.25000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 I1 0.02650 0.02720 0.02320 0.00000 0.00300 0.00000 I2 0.02890 0.02420 0.02710 0.00000 0.01200 0.00000 I3 0.02210 0.02280 0.02660 0.00000 -0.00300 0.00000 Se1 0.01790 0.02750 0.01690 0.00000 0.00700 0.00000 Sn1 0.04070 0.03870 0.03460 0.00000 0.01400 0.00000 Sn2 0.05400 0.04500 0.05300 0.00000 -0.00200 0.00000 Sb1 0.05400 0.04500 0.05300 0.00000 -0.00200 0.00000 Sn3 0.05700 0.04500 0.04900 0.00000 0.00700 0.00000 Sb2 0.05700 0.04500 0.04900 0.00000 0.00700 0.00000