#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529904.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_1529904 loop_ _publ_author_name 'Eller, P.G.' 'Ensor, D.D.' 'Larson, A.C.' 'Peterson, J.R.' 'Young, J.P.' _publ_section_title ; Crystal structures of alpha-U F5 and U2 F9 and spectral characterization of U2 F9 ; _journal_name_full 'Inorganica Chimica Acta' _journal_page_first 129 _journal_page_last 133 _journal_volume 37 _journal_year 1979 _chemical_formula_sum 'F5 U' _chemical_name_systematic 'U F5' _space_group_IT_number 87 _symmetry_space_group_name_Hall '-I 4' _symmetry_space_group_name_H-M 'I 4/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.518 _cell_length_b 6.518 _cell_length_c 4.47 _cell_volume 189.905 _citation_journal_id_ASTM ICHAA3 _cod_data_source_file Eller_ICHAA3_1979_377.cif _cod_data_source_block F5U1 _cod_original_cell_volume 189.9049 _cod_original_formula_sum 'F5 U1' _cod_database_code 1529904 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z -x,-y,-z y,-x,-z x,y,-z -y,x,-z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+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 U1 U+5 0 0 0 1 0.0 F2 F-1 0.285 0.113 0 1 0.0 F1 F-1 0 0 0.5 1 0.0