#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/17/1541796.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_1541796 loop_ _publ_author_name 'Ozerov, R.P.' 'Rannev, N.V.' 'Pakhomov, V.I.' 'Rez, I.S.' 'Zhdanov, G.S.' _publ_section_title ; The structure of K I O3 at room temperature ; _journal_name_full Kristallografiya _journal_page_first 620 _journal_page_last 622 _journal_volume 7 _journal_year 1962 _chemical_formula_sum 'I K O3' _chemical_name_systematic 'K (I O3)' _space_group_IT_number 217 _symmetry_space_group_name_Hall 'I -4 2 3' _symmetry_space_group_name_H-M 'I -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 8.938 _cell_length_b 8.938 _cell_length_c 8.938 _cell_volume 714.038 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Ozerov_KRISAJ_1962_787.cif _cod_data_source_block I1K1O3 _cod_original_cell_volume 714.0375 _cod_original_formula_sum 'I1 K1 O3' _cod_database_code 1541796 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x,-y,-z -y,-x,z -x,y,-z y,x,z z,x,y x,-z,-y -z,-x,y -x,z,-y z,-x,-y -x,-z,y -z,x,-y x,z,y y,z,x y,-z,-x -z,-y,x -y,z,-x z,y,x -y,-z,x -z,y,-x z,-y,-x x+1/2,y+1/2,z+1/2 y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 -y+1/2,x+1/2,-z+1/2 x+1/2,-y+1/2,-z+1/2 -y+1/2,-x+1/2,z+1/2 -x+1/2,y+1/2,-z+1/2 y+1/2,x+1/2,z+1/2 z+1/2,x+1/2,y+1/2 x+1/2,-z+1/2,-y+1/2 -z+1/2,-x+1/2,y+1/2 -x+1/2,z+1/2,-y+1/2 z+1/2,-x+1/2,-y+1/2 -x+1/2,-z+1/2,y+1/2 -z+1/2,x+1/2,-y+1/2 x+1/2,z+1/2,y+1/2 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1/2 -z+1/2,-y+1/2,x+1/2 -y+1/2,z+1/2,-x+1/2 z+1/2,y+1/2,x+1/2 -y+1/2,-z+1/2,x+1/2 -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-x+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 O1 O-2 0.25 0.25 0 1 0.0 K2 K+1 0 0.5 0.5 1 0.0 I1 I+5 0.25 0.25 0.25 1 0.0 K1 K+1 0 0 0 1 0.0