#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/75/1527586.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_1527586 loop_ _publ_author_name 'Jansen, M.' _publ_section_title ; Neue Untersuchungen an Na3 N O3 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 13 _journal_page_last 20 _journal_volume 435 _journal_year 1977 _chemical_formula_sum 'N Na3 O3' _chemical_name_systematic 'Na3 O (N O2)' _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 4.605 _cell_length_b 4.605 _cell_length_c 4.605 _cell_volume 97.654 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Jansen_ZAACAB_1977_794.cif _cod_data_source_block N1Na3O3 _cod_original_cell_volume 97.65375 _cod_original_formula_sum 'N1 Na3 O3' _cod_database_code 1527586 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 z,x,y -x,z,y -z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x -z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-x 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 0.55 0.7227 0.0833 0.0 N1 N+3 0.398 0.5 0.5 0.1667 0.0 O1 O-2 0 0 0 1 0.0 Na1 Na+1 0.5 0 0 1 0.0