#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:51:53 +0200 (Sat, 09 Jan 2016) $ #$Revision: 174216 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542177.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_1542177 loop_ _publ_author_name 'Thomas, C.K.' 'Stanko, J.A.' _publ_section_title ; The crystal structure of cesium aquopentachlororhodate(II) ; _journal_name_full 'Journal of Coordination Chemistry' _journal_page_first 231 _journal_page_last 234 _journal_volume 2 _journal_year 1973 _chemical_formula_sum 'Cl5 Cs2 H2 O Rh' _chemical_name_systematic 'Cs2 (Rh Cl5 (H2 O))' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-A 2 2a' _symmetry_space_group_name_H-M 'A m a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.023 _cell_length_b 17.271 _cell_length_c 7.353 _cell_volume 1018.870 _citation_journal_id_ASTM JCCMBQ _cod_data_source_file Thomas_JCCMBQ_1973_1135.cif _cod_data_source_block H2Cl5Cs2O1Rh1 _cod_cif_authors_sg_Hall '-C 2c 2 (z,y,-x)' _cod_original_cell_volume 1018.87 _cod_chemical_formula_sum_orig 'H2 Cl5 Cs2 O1 Rh1' _cod_database_code 1542177 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y,-z -x,-y,z -x+1/2,y,-z -x,-y,-z -x-1/2,y,z x,y,-z x-1/2,-y,z x,y+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,-y+1/2,z+1/2 -x+1/2,y+1/2,-z+1/2 -x,-y+1/2,-z+1/2 -x-1/2,y+1/2,z+1/2 x,y+1/2,-z+1/2 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 Cl2 Cl-1 0.4582 0.1119 0.2225 1 0.0 O1 O-2 0.25 0.9922 0 1 0.0 Cl1 Cl-1 0.25 0.2472 0 1 0.0 Cs2 Cs+1 0.25 0.754 0 1 0.0 Rh1 Rh+3 0.25 0.1142 0 1 0.0 Cs1 Cs+1 0.25 0.4699 0 1 0.0