#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/66/1526668.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_1526668 loop_ _publ_author_name 'Klevtsov, P.V.' 'Klevtsova, R.F.' 'Demenev, A.V.' _publ_section_title ; Couble molybdates and tungstates of rubidium with scandium and indium, and the potassium indium tungstate, crystallizing in the structural types K Al (Mo O4)2 and K In (Mo O4)2 ; _journal_name_full Kristallografiya _journal_page_first 545 _journal_page_last 551 _journal_volume 17 _journal_year 1972 _chemical_formula_sum 'In Mo2 O8 Rb' _chemical_name_systematic 'Rb In (Mo O4)2' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2c 2n' _symmetry_space_group_name_H-M 'P n a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.1 _cell_length_b 8.89 _cell_length_c 5.858 _cell_volume 786.372 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Klevtsov_KRISAJ_1972_1513.cif _cod_data_source_block In1Mo2O8Rb1 _cod_original_cell_volume 786.3721 _cod_original_sg_symbol_Hall '-P 2ac 2n (-x,z,y)' _cod_chemical_formula_sum_orig 'In1 Mo2 O8 Rb1' _cod_database_code 1526668 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y+1/2,-z x+1/2,-y+1/2,-z+1/2 -x,-y,z+1/2 -x,-y,-z x-1/2,-y-1/2,z -x-1/2,y-1/2,z-1/2 x,y,-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 O2 O-2 0.1967 0.8873 0.0037 1 0.0 Mo1 Mo+6 0.28445 0.50599 0.25 1 0.0 O5 O-2 0.0317 0.0209 0.25 1 0.0 O4 O-2 0.1385 0.3083 0.25 1 0.0 Mo2 Mo+6 0.03437 0.21312 0.25 1 0.0 O1 O-2 0.1317 0.1441 0.75 1 0.0 O6 O-2 0.0243 0.7189 0.5067 1 0.0 In1 In+3 0.11074 0.80796 0.25 1 0.0 Rb1 Rb+1 0.12474 0.45692 0.75 1 0.0 O3 O-2 0.1804 0.5909 0.25 1 0.0