#------------------------------------------------------------------------------ #$Date: 2016-01-03 11:26:26 +0200 (Sun, 03 Jan 2016) $ #$Revision: 172459 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/11/1541189.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_1541189 loop_ _publ_author_name 'Mahjoub, A.R.' 'Seppelt, K.' 'Hoser, A.' 'Fuchs, J.' _publ_section_title ; Die Struktur von Br F6(-) und verwandten Verbindungen ; _journal_name_full 'Angewandte Chemie (German Edition)' _journal_page_first 1528 _journal_page_last 1529 _journal_volume 101 _journal_year 1989 _chemical_formula_sum 'Br Cs F6' _chemical_name_systematic 'Cs (Br F6)' _space_group_IT_number 148 _symmetry_space_group_name_Hall '-P 3*' _symmetry_space_group_name_H-M 'R -3 :R' _cell_angle_alpha 96.501 _cell_angle_beta 96.501 _cell_angle_gamma 96.501 _cell_formula_units_Z 1 _cell_length_a 5.227 _cell_length_b 5.227 _cell_length_c 5.227 _cell_volume 139.825 _citation_journal_id_ASTM ANCEAD _cod_data_source_file Mahjoub_ANCEAD_1989_795.cif _cod_data_source_block Br1Cs1F6 _cod_cif_authors_sg_Hall '-R 3 (-y+z,x+z,-x+y+z)' _cod_original_cell_volume 139.8252 _cod_chemical_formula_sum_orig 'Br1 Cs1 F6' _cod_database_code 1541189 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,x,y y,z,x -x,-y,-z -z,-x,-y -y,-z,-x 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 F1 F-1 0.0778 0.8089 0.7042 1 0.0 Cs1 Cs+1 0.5 0.5 0.5 1 0.0 Br1 Br+5 0 0 0 1 0.0