#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542197.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_1542197 loop_ _publ_author_name 'Gaebell, H.C.' 'Meyer, G.' _publ_section_title ; Ternaere Bromide mit Lithium und Silber: Rb Li Br2, Cs Li Br2 und Cs Ag Br2 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 15 _journal_page_last 21 _journal_volume 513 _journal_year 1984 _chemical_formula_sum 'Br2 Li Rb' _chemical_name_systematic 'Rb Li Br2' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2c' _symmetry_space_group_name_H-M 'C c m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 15.12 _cell_length_b 4.364 _cell_length_c 7.654 _cell_volume 505.039 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Gaebell_ZAACAB_1984_1844.cif _cod_data_source_block Br2Li1Rb1 _cod_original_cell_volume 505.0391 _cod_original_sg_symbol_Hall '-C 2c 2 (y,-x,z)' _cod_original_formula_sum 'Br2 Li1 Rb1' _cod_database_code 1542197 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 -x,y,-z x,-y,-z+1/2 -x,-y,-z x,y,-z-1/2 x,-y,z -x,y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 -x+1/2,y+1/2,-z x+1/2,-y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 x+1/2,-y+1/2,z -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 Li1 Li+1 0.1029 0 0.75 1 0.0 Br1 Br-1 0 0 0 1 0.0 Br2 Br-1 0.3038 0 0.25 1 0.0 Rb1 Rb+1 0.6271 0 0.25 1 0.0