#------------------------------------------------------------------------------ #$Date: 2015-10-10 13:53:21 +0300 (Sat, 10 Oct 2015) $ #$Revision: 165437 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/73/1537341.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_1537341 loop_ _publ_author_name 'Goodwin, T.H.' 'Whetstone, J.' _publ_section_title ; The crystal structure of ammonium nitrate III, and atomic scattering factors in ionic crystals ; _journal_name_full 'Journal of the Chemical Society' _journal_page_first 1455 _journal_page_last 1461 _journal_volume 1947 _journal_year 1947 _chemical_formula_sum 'H4 N2 O3' _chemical_name_systematic '(N H4) (N O3)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2c 2ab' _symmetry_space_group_name_H-M 'P b n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.14 _cell_length_b 7.65 _cell_length_c 5.83 _cell_volume 318.440 _citation_journal_id_ASTM JCSOA9 _cod_data_source_file Goodwin_JCSOA9_1947_1493.cif _cod_data_source_block H4N2O3 _cod_cif_authors_sg_Hall '-P 2ac 2n (z,x,y)' _cod_original_cell_volume 318.4404 _cod_database_code 1537341 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x,-y,z+1/2 -x,-y,-z -x-1/2,y-1/2,z x-1/2,-y-1/2,z-1/2 x,y,-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 O2 O-2 0.295 0.085 0.25 1 0.0 N1 N+5 0.135 0.145 0.25 1 0.0 O1 O-2 0.055 0.175 0.065 1 0.0 N2 N-3 0.31 -0.025 -0.25 1 0.0