#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/05/1530551.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_1530551 loop_ _publ_author_name 'Passmore, J.' 'Richardson, E.K.' 'Whidden, T.K.' 'White, P.S.' _publ_section_title ; The X-Ray crystal structures of Se Br3 Sb F6 and Te Br3 As F6 ; _journal_name_full 'Canadian Journal of Chemistry' _journal_page_first 851 _journal_page_last 857 _journal_volume 58 _journal_year 1980 _chemical_formula_sum 'Br3 F6 Sb Se' _chemical_name_systematic 'Se Br3 Sb F6' _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.454 _cell_length_b 12.623 _cell_length_c 8.272 _cell_volume 987.163 _citation_journal_id_ASTM CJCHAG _cod_data_source_file Passmore_CJCHAG_1980_505.cif _cod_data_source_block Br3F6Sb1Se1 _cod_original_cell_volume 987.1627 _cod_original_formula_sum 'Br3 F6 Sb1 Se1' _cod_database_code 1530551 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-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 Se1 Se+4 -0.4656 0.4698 0.133 1 0.0 F4 F-1 0.118 0.739 0.148 1 0.0 Sb1 Sb+5 0.037 0.815 0.3116 1 0.0 F2 F-1 0.216 0.857 0.386 1 0.0 Br2 Br-1 -0.3167 0.6001 0.2091 1 0.0 F6 F-1 -0.14 0.781 0.245 1 0.0 F3 F-1 -0.046 0.899 0.473 1 0.0 F1 F-1 0.047 0.935 0.177 1 0.0 Br1 Br-1 -0.488 0.37 0.3613 1 0.0 F5 F-1 0.056 0.693 0.444 1 0.0 Br3 Br-1 -0.6755 0.5572 0.1432 1 0.0