#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/93/1509392.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_1509392 loop_ _publ_author_name 'Brown, I.D.' 'Howard-Lock, H.E.' 'Natarajan-Iyer, M.' _publ_section_title ; The crystal structure and polarised Raman spectrum of Rb2 Ag I3 ; _journal_name_full 'Canadian Journal of Chemistry' _journal_page_first 1511 _journal_page_last 1514 _journal_paper_doi 10.1139/v77-210 _journal_volume 55 _journal_year 1977 _chemical_formula_sum 'Ag I3 Rb2' _chemical_name_systematic 'Rb2 Ag I3' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.258 _cell_length_b 4.886 _cell_length_c 20.063 _cell_volume 1005.569 _citation_journal_id_ASTM CJCHAG _cod_data_source_file silver1-2_332.cif _cod_data_source_block Ag1I3Rb2 _cod_original_formula_sum 'Ag1 I3 Rb2' _cod_database_code 1509392 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,z 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 Ag1 Ag+1 0.1362 0.25 0.136 1 0.0 I2 I-1 0.3803 0.25 0.071 1 0.0 Rb1 Rb+1 0.4217 0.75 0.2113 1 0.0 Rb2 Rb+1 0.2522 0.25 0.457 1 0.0 I1 I-1 0.1879 0.25 0.2753 1 0.0 I3 I-1 0.0033 0.75 0.1018 1 0.0