#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/04/1530478.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_1530478 loop_ _publ_author_name 'Natarajan-Iyer, M.' 'Brown, I.D.' 'Howard-Lock, H.E.' _publ_section_title ; The crystal structure of Rb Cd Cl3 and the polarized Raman spectra of Rb Cd X3 (X = Cl, Br) ; _journal_name_full 'Canadian Journal of Chemistry' _journal_page_first 1192 _journal_page_last 1195 _journal_volume 56 _journal_year 1978 _chemical_formula_sum 'Cd Cl3 Rb' _chemical_name_systematic 'Rb Cd Cl3' _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 8.949 _cell_length_b 4.026 _cell_length_c 14.93 _cell_volume 537.908 _citation_journal_id_ASTM CJCHAG _cod_data_source_file Natarajan-Iyer_CJCHAG_1978_234.cif _cod_data_source_block Cd1Cl3Rb1 _cod_original_cell_volume 537.9081 _cod_original_formula_sum 'Cd1 Cl3 Rb1' _cod_database_code 1530478 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 Cl1 Cl-1 0.284 0.25 0.2067 1 0.0 Cd1 Cd+2 0.16674 0.25 0.05571 1 0.0 Cl2 Cl-1 0.171 0.25 0.4951 1 0.0 Cl3 Cl-1 0.0256 0.25 0.9005 1 0.0 Rb1 Rb+1 0.42731 0.25 0.82536 1 0.0