#------------------------------------------------------------------------------ #$Date: 2015-09-07 23:39:27 +0300 (Mon, 07 Sep 2015) $ #$Revision: 155133 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/01/1530149.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1530149 loop_ _publ_author_name 'Khan, M.A.' 'Tuck, D.G.' _publ_section_title ; The crystal structure of indium diiodide, indium(I) tetraiodoindate(III) In (In I4) ; _journal_name_full 'Inorganica Chimica Acta' _journal_page_first 73 _journal_page_last 76 _journal_volume 97 _journal_year 1985 _chemical_formula_sum 'I4 In2' _chemical_name_systematic 'In In I4' _space_group_IT_number 52 _symmetry_space_group_name_Hall '-P 2a 2bc' _symmetry_space_group_name_H-M 'P n n a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.425 _cell_length_b 10.969 _cell_length_c 11.162 _cell_volume 1031.523 _citation_journal_id_ASTM ICHAA3 _cod_data_source_file Khan_ICHAA3_1985_1070.cif _cod_data_source_block I4In2 _cod_database_code 1530149 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z x,-y+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -x,-y,-z x-1/2,y,-z -x,y-1/2,z-1/2 x-1/2,-y-1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv In2 In+3 0.6615 0.25 0.75 1 0.0 In1 In+1 0.25 0 0.6783 1 0.0 I2 I-1 0.3431 0.1931 0.5439 1 0.0 I1 I-1 0.5054 -0.048 0.8193 1 0.0