#------------------------------------------------------------------------------ #$Date: 2016-01-09 14:39:29 +0200 (Sat, 09 Jan 2016) $ #$Revision: 174139 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542126.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_1542126 loop_ _publ_author_name 'Kapshukov, I.I.' 'Volkov, Yu.F.' 'Lebedev, I.A.' 'Moskvitsev, E.P.' 'Yakovlev, G.N.' _publ_section_title ; Crystal Structure of Uranyl Tetranitrate ; _journal_name_full 'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)' _journal_page_first 94 _journal_page_last 98 _journal_volume 12 _journal_year 1971 _chemical_formula_sum 'N4 O14 U' _chemical_name_systematic '(N H4)2 U O2 (N O3)4' _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 107.97 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 6.39 _cell_length_b 7.74 _cell_length_c 12.87 _cell_volume 605.481 _citation_journal_id_ASTM ZSTKAI _cod_data_source_file Kapshukov_ZSTKAI_1971_344.cif _cod_data_source_block N4O14U1 _cod_chemical_formula_sum_orig 'N4 O14 U1' _cod_database_code 1542126 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 O5 O-2 0.258 0.34 -0.182 1 0.0 O6 O-2 -0.297 0.268 0.2 1 0.0 O3 O-2 0.184 0.082 -0.146 1 0.0 O2 O-2 -0.086 0.231 0.111 1 0.0 O1 O-2 0.273 0 0.094 1 0.0 N2 N+5 0.194 0.26 0.13 1 0.0 N3 N+5 -0.282 0.283 -0.107 1 0.0 O7 O-2 -0.411 0.321 0.025 1 0.0 U1 U+6 0 0 0 1 0.0 O4 O-2 0.085 0.273 0.061 1 0.0