#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/62/2106237.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2106237 loop_ _publ_author_name 'Avignant, D.' 'Mansouri, I.' 'Sabatier, R.' 'Cousseins, J.C.' _publ_section_title ; Structure du Fluorure de Thallium(I) et d'Uranium(IV) ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 664 _journal_page_last 666 _journal_volume 36 _journal_year 1980 _chemical_formula_sum 'F5 Tl U' _chemical_name_systematic 'Tl U F5' _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 102.53 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 8.222 _cell_length_b 13.821 _cell_length_c 8.317 _cell_volume 922.603 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Avignant_ACBCAR_1980_891.cif _cod_data_source_block F5Tl1U1 _cod_original_cell_volume 922.6027 _cod_original_formula_sum 'F5 Tl1 U1' _cod_database_code 2106237 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 U2 U+4 0.4459 0.7545 0.4616 1 0.0 F2 F-1 0.0812 0.2904 0.1804 1 0.0 U1 U+4 0.0148 0.7456 0.0921 1 0.0 F6 F-1 0.1733 0.6845 0.3634 1 0.0 F4 F-1 0.225 0.6491 0.0111 1 0.0 F5 F-1 0.4848 0.6019 0.5127 1 0.0 F3 F-1 0.2685 0.2632 0.471 1 0.0 F8 F-1 0.065 0.0985 0.3903 1 0.0 Tl1 Tl+1 0.233 0.4791 0.2242 1 0.0 F7 F-1 0.284 -0.1907 0.1902 1 0.0 F9 F-1 0.4701 0.3949 0.0763 1 0.0 F10 F-1 0.0159 0.3993 0.4299 1 0.0 Tl2 Tl+1 0.2778 0.0176 0.2016 1 0.0 F1 F-1 0.4659 0.1963 0.2665 1 0.0