#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/54/1535489.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_1535489 loop_ _publ_author_name 'Bremm, T.' 'Jansen, M.' _publ_section_title ; Einkristallzuechtung und Strukturanalyse von Trikaliumorthonitrat ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 56 _journal_page_last 59 _journal_volume 608 _journal_year 1992 _chemical_formula_sum 'K3 N O4' _chemical_name_systematic 'K3 (N O4)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.921 _cell_length_b 7.952 _cell_length_c 5.667 _cell_volume 492.144 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Bremm_ZAACAB_1992_91.cif _cod_data_source_block K3N1O4 _cod_original_cell_volume 492.1437 _cod_original_formula_sum 'K3 N1 O4' _cod_database_code 1535489 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,z 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 O3 O-2 0.39128 0.10594 0.85231 1 0.0 O1 O-2 0.47924 0.25 0.55315 1 0.0 O2 O-2 0.27299 0.25 0.59234 1 0.0 K1 K+1 0.06916 0.25 0.37333 1 0.0 K2 K+1 0.14358 0.00799 0.82411 1 0.0 N1 N+5 0.38292 0.25 0.71532 1 0.0