#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532606.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_1532606 loop_ _publ_author_name 'Jacobs, H.' 'Heckers, U.' 'Zachwieja, U.' 'Kockelmann, W.' _publ_section_title ; Lithium - Uran - Nitride : Li U N2 und Li2 U N2 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 2240 _journal_page_last 2243 _journal_volume 629 _journal_year 2003 _chemical_formula_sum 'Li N2 U' _chemical_name_systematic 'Li U N2' _space_group_IT_number 141 _symmetry_space_group_name_Hall '-I 4bd 2' _symmetry_space_group_name_H-M 'I 41/a m d :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.39082 _cell_length_b 4.39082 _cell_length_c 11.0439 _cell_volume 212.919 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Jacobs_ZAACAB_2003_1096.cif _cod_data_source_block Li1N2U1 _cod_original_cell_volume 212.9187 _cod_original_formula_sum 'Li1 N2 U1' _cod_database_code 1532606 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/4,x+3/4,z+1/4 -x+1/2,-y,z+1/2 y+1/4,-x+1/4,z+3/4 x,-y,-z y+1/4,x+3/4,-z+1/4 -x+1/2,y,-z+1/2 -y+1/4,-x+1/4,-z+3/4 -x,-y,-z y-1/4,-x-3/4,-z-1/4 x-1/2,y,-z-1/2 -y-1/4,x-1/4,-z-3/4 -x,y,z -y-1/4,-x-3/4,z-1/4 x-1/2,-y,z-1/2 y-1/4,x-1/4,z-3/4 x+1/2,y+1/2,z+1/2 -y+3/4,x+5/4,z+3/4 -x+1,-y+1/2,z+1 y+3/4,-x+3/4,z+5/4 x+1/2,-y+1/2,-z+1/2 y+3/4,x+5/4,-z+3/4 -x+1,y+1/2,-z+1 -y+3/4,-x+3/4,-z+5/4 -x+1/2,-y+1/2,-z+1/2 y+1/4,-x-1/4,-z+1/4 x,y+1/2,-z -y+1/4,x+1/4,-z-1/4 -x+1/2,y+1/2,z+1/2 -y+1/4,-x-1/4,z+1/4 x,-y+1/2,z y+1/4,x+1/4,z-1/4 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 Li1 Li+1 0 0.25 0.375 1 0.0 U1 U+5 0 0.75 0.125 1 0.0 N1 N-3 0 0.25 0.08425 1 0.0