#------------------------------------------------------------------------------ #$Date: 2016-12-12 01:03:57 +0200 (Mon, 12 Dec 2016) $ #$Revision: 189055 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/36/4343691.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_4343691 loop_ _publ_author_name 'Schroeder, D. R.' 'Jacobson, R. A.' _publ_section_title ; Crystal structure of hexaamminecobalt nonafluoroantimonate (III) ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 515 _journal_page_last 518 _journal_volume 12 _journal_year 1973 _chemical_formula_sum 'Co F9 H18 N6 Sb2' _chemical_name_systematic 'Co (N H3)6 Sb2 F9' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 93.15 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.223 _cell_length_b 7.298 _cell_length_c 12.432 _cell_volume 654.344 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Schroeder_INOCAJ_1973_622.cif _cod_data_source_block H18Co1F9N6Sb2 _cod_original_cell_volume 654.3435 _cod_original_formula_sum 'H18 Co1 F9 N6 Sb2' _cod_database_code 4343691 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-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 _atom_site_attached_hydrogens F5 F-1 0.0988 0.5315 0.0175 0.5 0.0 0 N1 N-3 0.7595 0.0857 0.0137 1 0.0 3 F1 F-1 0.3163 0.0077 0.3721 1 0.0 0 Co1 Co+3 0.5 0 0 1 0.0 0 F4 F-1 0.0832 0.2674 0.3771 1 0.0 0 F3 F-1 0.7878 0.1425 0.2688 1 0.0 0 N3 N-3 0.4771 0.3991 0.3496 1 0.0 3 N2 N-3 0.4171 0.2361 0.0576 1 0.0 3 F2 F-1 0.1314 0.1066 0.1864 1 0.0 0 Sb1 Sb+3 0.03496 0.01997 0.32524 1 0.0 0